Mankos, Marian; Shadman, Khashayar
2014-12-02
In this SBIR project, Electron Optica, Inc. (EOI) is developing a mirror electron monochromator (MirrorChrom) attachment to new and retrofitted electron microscopes (EMs) for improving the energy resolution of the EM from the characteristic range of 0.2-0.5 eV to the range of 10-50 meV. This improvement will enhance the characterization of materials by imaging and spectroscopy. In particular, the monochromator will refine the energy spectra characterizing materials, as obtained from transmission EMs [TEMs] fitted with electron spectrometers, and it will increase the spatial resolution of the images of materials taken with scanning EMs (SEMs) operated at low voltages. EOI’s MirrorChrom technology utilizes a magnetic prism to simultaneously deflect the electron beam off the axis of the microscope column by 90° and disperse the electrons in proportional to their energies into a module with an electron mirror and a knife-edge. The knife-edge cuts off the tails of the energy distribution to reduce the energy spread of the electrons that are reflected, and subsequently deflected, back into the microscope column. The knife-edge is less prone to contamination, and thereby charging, than the conventional slits used in existing monochromators, which improves the reliability and stability of the module. The overall design of the MirrorChrom exploits the symmetry inherent in reversing the electron trajectory in order to maintain the beam brightness – a parameter that impacts how well the electron beam can be focused downstream onto a sample. During phase I, EOI drafted a set of candidate monochromator architectures and evaluated the trade-offs between energy resolution and beam current to achieve the optimum design for three particular applications with market potential: increasing the spatial resolution of low voltage SEMs, increasing the energy resolution of low voltage TEMs (beam energy of 5-20 keV), and increasing the energy resolution of conventional TEMs (beam energy of 80-120 keV). Specialized software packages that have been developed by MEBS, Ltd. were used to calculate the electron optical properties of the key monochromator components: namely, the magnetic prism, the electron mirror, and the electron lenses. In the final step, these results were folded into a model describing the key electron-optical parameters of the complete monochromator. The simulations reveal that the mirror monochromator can reduce the energy spread of a Schottky electron source, an established electron emitter used widely in EMs, to 10 meV for practical beam current values and that further reduction of the energy spread down to 3 meV is possible for low current applications with a Cold Field Emitter (an electron source with 10x the brightness of a Schottky source). MirrorChroms can be designed and built to attach to different types of TEMs and SEMs, thus making them suitable for enhancing the study of the structure, composition, and bonding states of new materials at the nanoscale to advance material science research in the field of nanotechnology as well as biomedical research.
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1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm Scientific
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1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm Scientific
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6.3.1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm Scientific
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1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm Scientific
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3.1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm Scientific
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Beamline 6.3.1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm
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Beamline 6.3.1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm
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3.1 Beamline 6.3.1 Print Tuesday, 20 October 2009 08:42 Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000
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1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm Scientific
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1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm Scientific
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1 Print Magnetic Spectroscopy Scientific disciplines: Magnetic materials research, materials science Endstations: 6.3.1.1: Magnetic Spectroscopy 6.3.1.2: ISAAC In Situ XAS GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 250-2000 eV Monochromator VLS-PGM monochromator with fixed exit slit and refocusing mirror Calculated flux (1.9 GeV, 400 mA) 1011photons/s/0.1%BW at 1000 eV Resolving power (E/Î”E) 5,000 Spot size at sample 50 x 500 Âµm Scientific
Monochromator Crystal Glitch Library
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
SSRL's Monochromator Crystal Glitch Library allows users to view glitch spectra online, list specific crystal orientations, and download PDF files of the glitch spectra. (Specialized Interface)
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1 Print PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving power (E/Î”E) 4,000 at 800 eV Endstations
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1 Print PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving power (E/Î”E) 4,000 at 800 eV Endstations
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1 Print PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving power (E/Î”E) 4,000 at 800 eV Endstations
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1 Print PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving power (E/Î”E) 4,000 at 800 eV Endstations
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1 Print PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving power (E/Î”E) 4,000 at 800 eV Endstations
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1 Print PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving power (E/Î”E) 4,000 at 800 eV Endstations
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1 Print PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving power (E/Î”E) 4,000 at 800 eV Endstations
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1 Beamline 11.0.1 Print Tuesday, 20 October 2009 09:16 PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving
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0.1 Beamline 11.0.1 Print Tuesday, 20 October 2009 09:16 PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving
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1 Print PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving power (E/Î”E) 4,000 at 800 eV Endstations
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1 Print PEEM3, Soft X-Ray Scattering Scientific disciplines: Magnetism, materials, surface science, polymers Endstations: 11.0.1.1: Photoemission Electron Microscope (PEEM3) 11.0.1.2: Soft X-Ray Scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics 5.0-cm period elliptical polarization undulator (EPU5) Energy range 150-2000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 800 eV Resolving power (E/Î”E) 4,000 at 800 eV Endstations
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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3.2 Beamline 11.3.2 Print Tuesday, 20 October 2009 09:23 Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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0.2 Beamline 12.0.2 Print Tuesday, 20 October 2009 09:30 Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond mode.
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2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond mode.
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6.0.2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond
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2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond mode.
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0.2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond mode.
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2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond mode.
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Beamline 6.0.2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in
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Beamline 6.0.2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in
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0.2 Beamline 6.0.2 Print Tuesday, 20 October 2009 08:40 Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond
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2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond mode.
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2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond mode.
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2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300 Âµm
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2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300 Âµm
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2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300 Âµm
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3.2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300
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6.3.2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300
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6.3.2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300
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6.3.2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300
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6.3.2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300
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2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300 Âµm
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2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300 Âµm
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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1.3.2 Print Inspection of EUV lithography masks GENERAL BEAMLINE INFORMATION Operational Yes, but not open to users Source characteristics Bend magnet Energy range 50-1000 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) 7000 Endstations The SEMATECH Berkeley Actinic Inspection Tool Detector 2048 x 2048 EUV CCD Characteristics 900-1000x zoneplate microscope Spot size at sample 1-5 microns Spatial resolution 60 nm Sample format
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Coherent science Scientific disciplines: Applied science, magnetism, materials science Endstations: 12.0.2.1: Coherent optics 12.0.2.2: Coherent x-ray scattering GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Third harmonic of 8-cm-period undulator (U8) Energy range 300-1500 eV Monochromator VLS-PGM, with two gratings (600 and 1200 lines/mm) Calculated flux (1.9 GeV, 400 mA) 1013 photons/s/0.1%BW at 500 eV Resolving power (E/DE) 1,000 Beam size Focused: 70 x 10 Âµm
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2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond mode.
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2 Print Ultrafast/Femtosecond Dynamics Soft X Ray Scientific disciplines: Chemical dynamics, materials science, surfaces, interfaces GENERAL BEAMLINE INFORMATION Operational Yes, but not open to General Users Source characteristics 3.5-cm period undulator (U3) Energy range 250 eV- 1.5 keV Monochromator White light and VLS-PGM, with two gratings (250 and 1000 lines/mm) Calculated fs flux (1.9 GeV, 400 mA) 10,000-100,000 photons/pulse in picosecond mode. 10,000 times smaller in femtosecond mode.
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2 Print EUV Calibrations Scientific discipline: Applied sciences GENERAL BEAMLINE INFORMATION Operational Now Source characteristics Bend magnet Energy range 25-1300 eV Monochromator VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1011 photons/s/0.01%BW at 100 eV Resolving power (E/Î”E) <7,000 Endstations Reflectometer Characteristics 2-circle goniometer with x, y, z, q movement of sample Spatial resolution Can position to 10 Âµm, 0.01Â° Detectors Photodiode, channeltron Spot size at sample 300 Âµm
APS high heat load monochromator
Lee, W.K.; Mills, D.
1993-02-01
This document contains the design specifications of the APS high heat load (HHL) monochromator and associated accessories as of February 1993. It should be noted that work is continuing on many parts of the monochromator including the mechanical design, crystal cooling designs, etc. Where appropriate, we have tried to add supporting documentation, references to published papers, and calculations from which we based our decisions. The underlying philosophy behind performance specifications of this monochromator was to fabricate a device that would be useful to as many APS users as possible, that is, the design should be as generic as possible. In other words, we believe that this design will be capable of operating on both bending magnet and ID beamlines (with the appropriate changes to the cooling and crystals) with both flat and inclined crystal geometries and with a variety of coolants. It was strongly felt that this monochromator should have good energy scanning capabilities over the classical energy range of about 4 to 20 keywith Si (111) crystals. For this reason, a design incorporating one rotation stage to drive both the first and second crystals was considered most promising. Separate rotary stages for the first and second crystals can sometimes provide more flexibility in their capacities to carry heavy loads (for heavily cooled first crystals or sagittal benders of second crystals), but their tuning capabilities were considered inferior to the single axis approach.
Mook, H.A. Jr.
1984-01-01
In one aspect, the invention is an improved pulsed-neutron monochromator of the vibrated-crystal type. The monochromator is designed to provide neutron pulses which are characterized both by short duration and high density. A row of neutron-reflecting crystals is disposed in a neutron beam to reflect neutrons onto a common target. The crystals in the row define progressively larger neutron-scattering angles and are vibrated sequentially in descending order with respect to the size of their scattering angles, thus generating neutron pulses which arrive simultaneously at the target. Transducers are coupled to one end of the crystals to vibrate them in an essentially non-resonant mode. The transducers propagate transverse waves in the crystal which progress longitudinally therein. The waves are absorbed at the undriven ends of the crystals by damping material mounted thereon. In another aspect, the invention is a method for generating neutron pulses characterized by high intensity and short duration.
Mook, Jr., Herbert A. (Oak Ridge, TN)
1985-01-01
In one aspect, the invention is an improved pulsed-neutron monochromator of the vibrated-crystal type. The monochromator is designed to provide neutron pulses which are characterized both by short duration and high density. A row of neutron-reflecting crystals is disposed in a neutron beam to reflect neutrons onto a common target. The crystals in the row define progressively larger neutron-scattering angles and are vibrated sequentially in descending order with respect to the size of their scattering angles, thus generating neutron pulses which arrive simultaneously at the target. Transducers are coupled to one end of the crystals to vibrate them in an essentially non-resonant mode. The transducers propagate transverse waves in the crystal which progress longitudinally therein. The wave are absorbed at the undriven ends of the crystals by damping material mounted thereon. In another aspect, the invention is a method for generating neutron pulses characterized by high intensity and short duration.
Focusing monochromators for high energy synchrotron radiation
Suortti, P. )
1992-01-01
Bent crystals are introduced as monochromators for high energy synchrotron radiation. The reflectivity of the crystal can be calculated reliably from a model where the bent crystal is approximated by a stack of lamellas, which have a gradually changing angle of reflection. The reflectivity curves of a 4 mm thick, asymmetrically cut ({chi}=9.5{degree}) Si(220) crystal are measured using 150 keV radiation and varying the bending radius from 25 to 140 m. The width of the reflectivity curve is up to 50 times the Darwin width of the reflection, and the maximum reflectivity exceeds 80%. The crystal is used as a monochromator in Compton scattering measurements. The source is on the focusing circle, so that the resolution is limited essentially by the detector/analyzer. A wide bandpass, sharply focused beam is attained when the source is outside the focusing circle in the transmission geometry. In a test experiment. 10{sup 12} photons on an area of 2 mm{sup 2} was observed. The energy band was about 4 keV centered at 40 keV. A powder diffraction pattern of a few reflections of interest was recorded by an intrinsic Ge detector, and this demonstrated that a structural transition can be followed at intervals of a few milliseconds.
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VLS-PGM Calculated flux (1.9 GeV, 400 mA) 1013 photonss0.1%BW at 800 eV Resolving power (EE) 4,000 at 800 eV Endstations 11.0.1.1: Photoemission electron microscope...
Back-scattering channel-cut high-resolution monochromator for inelastic x-ray scattering
Kushnir, V.I.; Abbamonte, P.M.; Macrander, A.T.; Schwoerer-Boehning, M.
1997-08-01
We report on a design and on some experimental results for the performance of a new high energy resolution monochromator. It is a large channel-cut Si crystal with a 197 mm separation between the two faces designed to operate in a near-backscattering regime. The device was tested as a second monochromator on Sector 3 of the Synchrotron Radiation Instrumentation Collaborative Access Team (SRI-CAT) at the Advanced Photon Source using the Si(777) reflection at a photon energy of 13.84 keV. The same monochromator can be used for other energies with reflections of the type (hhh). Special care has been taken to equalize the temperature of the two faces by employing a Peltier heat pump. A Si(111) double-crystal pre-monochromator designed to withstand the high heat load of the undulator radiation was used upstream on the beamline. The measured throughput efficiency of the Si(777) channel-cut monochromator was less ideal by a factor of 1.9. Dynamical diffraction theory was used to calculate the throughput of an ideally perfect crystal.
High resolution EUV monochromator/spectrometer
Koike, Masako
1996-06-18
This invention is related to a monochromator which employs a spherical mirror, a traveling plane mirror with simultaneous rotation, and a varied spacing plane grating. The divergent beam from the entrance slit is converged by the spherical mirror located at the various positions in the monochromator depending of the inventive system. To provide the meaningful diffraction efficiencies and to reduce unwanted higher order lights, the deviation angle subtending the incidence and diffraction beams for the plane grating is varied with the position of the traveling plane mirror with simultaneous rotation located in the front or back of the plane grating with wavelength scanning. The outgoing beam from the monochromator goes through the fixed exit slit and has same beam direction regardless of the scanning wavelength. The combination of properly designed motions of the plane mirror and novel varied-spacing parameters of the inventive plane grating corrects the aberrations and focuses the monochromatic spectral image on the exit slit, enabling measurements at high spectral resolution. 10 figs.
High resolution EUV monochromator/spectrometer
Koike, Masako
1996-01-01
This invention is related to a monochromator which employs a spherical mirror, a traveling plane mirror with simultaneous rotation, and a varied spacing plane grating. The divergent beam from the entrance slit is converged by the spherical mirror located at the various positions in the monochromator depending of the inventive system. To provide the meaningful diffraction efficiencies and to reduce unwanted higher order lights, the deviation angle subtending the incidence and diffraction beams for the plane grating is varied with the position of the traveling plane mirror with simultaneous rotation located in the front or back of the plane grating with wavelength scanning. The outgoing beam from the monochromator goes through the fixed exit slit and has same beam direction regardless of the scanning wavelength. The combination of properly designed motions of the plane mirror and novel varied-spacing parameters of the inventive plane grating corrects the aberrations and focuses the monochromatic spectral image on the exit slit, enabling measurements at high spectral resolution.
Macrander, A.T.; Schwoerer-Boehning, M.; Abbamonte, P.M.; Hu, M.
1997-08-01
A monochromator for use at 13.84 keV with a calculated bandpass of 5.2 meV was designed built, and tested. Tuning was performed by rotating the inner crystal of a pair of nested silicon channel-cut crystals. The inner crystal employs the (884) reflection, and the outer crystal employs a collimating asymmetric (422) reflection (dynamical asymmetry factor, b, equal to {minus}17.5). Tests were done with a double-crystal Si(111) pre-monochromator situated upstream of the high resolution monochromator and a Si(777) backscattering crystal situated downstream. For this optical arrangement an ideal value of 6.3 meV as calculated by x-ray dynamical diffraction theory applies for the FWHM of the convolution of the net monochromator reflectivity function with that of the Si(777) reflection. This calculated value is to be compared to the value of 7.1 meV measured by tuning the high resolution monochromator. Measured efficiencies were less than ideal by a factor of 3.2 to 4.9, where the larger flux reduction factors were found with higher positron storage ring currents.
Asymmetrically cut crystals for synchrotron radiation monochromators
Sanchez del Rio, M. ); Cerrina, F. )
1992-01-01
Asymmetrically cut crystals are interesting for use in synchrotron radiation monochromators because of their good energy resolution characteristics and their focusing properties. Ray tracing codes, such as SHADOW, are very efficient in the design and development of new optical devices. In order to determine the convenience of using asymmetrically cut crystals for x-ray monochromators, SHADOW has been extended to include these kinds of crystals. The physical approach to ray tracing asymmetrically cut crystals is based on the coexistence of two periodic structures. One of these is the bulk periodic structure of the Bragg planes. Such a structure determines the existence of a rocking curve near the Bragg condition, and is implemented in SHADOW following the Darwin--Prins formalism of the dynamical theory of diffraction. The second periodic structure is a one-dimensional grating on the crystal surface, formed by the truncation of the lattice planes with the surface. This grating is responsible for the focusing properties of these crystals and plays an essential role in determining the trajectory of the rays. The combination of an asymmetric crystal and a nonplanar surface can be easily achieved by bending (Johann case) to provide improved properties. More complex cases such as the ground-bent crystals (i.e., Johansson geometry) can be considered as a particular case of asymmetrical crystals in which the angle between the Bragg planes and the surface change along the crystal surface. All these cases have been implemented in SHADOW.
Holographic optical grating and method for optimizing monochromator configuration
Koike, Masato (Moraga, CA)
1999-01-01
This invention comprises a novel apparatus for recording a holographic groove pattern on a diffraction grating blank. The recording apparatus is configured using newly developed groups of analytical equations. The invention further comprises the novel holographic diffraction grating made with the inventive recording apparatus. The invention additionally comprises monochromators and spectrometers equipped with the inventive holographic diffraction grating. Further, the invention comprises a monochromator configured to reduce aberrations using a newly developed group of analytical equations. Additionally, the invention comprises a method to reduce aberrations in monochromators and spectrometers using newly developed groups of analytical equations.
De Bruijn, D.; Van Zuylen, P. ); Kruizinga, G. , P.O. Box 93138, 2509 AC Den Haag State University of Utrecht, Sorbonnelaan 16, 3508 TB Utrecht )
1992-01-01
A Si(220) double-crystal monochromator for the energy range 10--30 keV is presented. It will be used for EXAFS as well as powder diffraction measurements. To determine the requirements for this monochromator we looked, apart from mean considerations, at the requirements dictated by EXAFS in transmission mode. For good data analyses the proper shape, amplitude, and location at the energy axis of each wiggle is required. Moreover it is essential to separate the wiggles from background and noise. For the latter a high flux through the sample is desirable, which can be achieved by horizontal focusing of the beam. For that we have chosen to bend the second crystal sagitally. The sagittal bending radius is adjustable between 50 and 0.8 m, because for different energies different sagittal radii are necessary to focus the beam on the sample. The mean meridional radius of the second crystal is fixed at 130 m, which is an optimization for 20 keV. The meridional radius of the first crystal can be tuned between 100 and 500 m. When this radius is set to 130 m the energy resolution is calculated to be 6, 3, and 35 eV for 10, 20, and 30 keV (for perfectly bent crystals). By changing the meridional radius of the first crystal, future users of this monochromator can make the trade off between resolution and intensity. Movement of the monochromator exit beam, during a scan, will occur due to the monochromator geometry, but is reduced as much as possible by using an asymmetrically cut second crystal, with an asymmetry angle of 2.5{degree}. The average exit beam movement of the monochromator for a 1-keV scan is 20 {mu}m. For 40% of the energy range (10--30 keV) the exit beam position remains within 10 {mu}m. For the second crystal no translation stage is used.
High energy resolution, high angular acceptance crystal monochromator
Alp, E.E.; Mooney, T.M.; Toellner, T.
1996-06-04
A 4-bounce dispersive crystal monochromator reduces the bandpass of synchrotron radiation to a 10-50 meV range without sacrificing angular acceptance. The monochromator includes the combination of an asymmetrical channel-cut single crystal of lower order reflection and a symmetrical channel-cut single crystal of higher order reflection in a nested geometric configuration. In the disclosed embodiment, a highly asymmetrically cut ({alpha}=20) outer silicon crystal (4 2 2) with low order reflection is combined with a symmetrically cut inner silicon crystal (10 6 4) with high order reflection to condition a hard x-ray component (5--30 keV) of synchrotron radiation down to the {micro}eV-neV level. Each of the crystals is coupled to the combination of a positioning inchworm and angle encoder via a respective rotation stage for accurate relative positioning of the crystals and precise energy tuning of the monochromator. 7 figs.
High energy resolution, high angular acceptance crystal monochromator
Alp, Ercan E.; Mooney, Timothy M.; Toellner, Thomas
1996-06-04
A 4-bounce dispersive crystal monochromator reduces the bandpass of synchrotron radiation to a 10-50 meV range without sacrificing angular acceptance. The monochromator includes the combination of an asymmetrical channel-cut single crystal of lower order reflection and a symmetrical channel-cut single crystal of higher order reflection in a nested geometric configuration. In the disclosed embodiment, a highly asymmetrically cut (.alpha.=20) outer silicon crystal (4 2 2) with low order reflection is combined with a symmetrically cut inner silicon crystal (10 6 4) with high order reflection to condition a hard x-ray component (5-30 keV) of synchrotron radiation down to the .mu.eV-neV level. Each of the crystals is coupled to the combination of a positioning inchworm and angle encoder via a respective rotation stage for accurate relative positioning of the crystals and precise energy tuning of the monochromator.
Synchronized monochromator and insertion device energy scans at SLS
Krempasky, J.; Flechsig, U.; Korhonen, T.; Zimoch, D.; Quitmann, Ch.; Nolting, F.
2010-06-23
Synchronous monochromator and insertion device energy scans were implemented at the Surfaces/Interfaces:Microscopy (SIM) beamline in order to provide the users fast X-ray magnetic dichroism studies (XMCD). A simple software control scheme is proposed based on a fast monochromator run-time energy readback which quickly updates the insertion device requested energy during an on-the-fly X-ray absorption scan (XAS). In this scheme the Plain Grating Monochromator (PGM) motion control, being much slower compared with the insertion device (APPLE-II type undulator), acts as a 'master' controlling the undulator 'slave' energy position. This master-slave software implementation exploits EPICS distributed device control over computer network and allows for a quasi-synchronous motion control combined with data acquisition needed for the XAS or XMCD experiment.
Monochromator for continuous spectrum x-ray radiation
Staudenmann, Jean-Louis; Liedl, Gerald L.
1987-07-07
A monochromator for use with synchrotron x-ray radiation comprises two diffraction means which can be rotated independently and independent means for translationally moving one diffraction means with respect to the other. The independence of the rotational and translational motions allows Bragg angles from 3.5.degree. to 86.5.degree., and facilitates precise and high-resolution monochromatization over a wide energy range. The diffraction means are removably mounted so as to be readily interchangeable, which allows the monochromator to be used for both non-dispersive and low dispersive work.
Monochromator for continuous spectrum x-ray radiation
Staudenmann, J.L.; Liedl, G.L.
1983-12-02
A monochromator for use with synchrotron x-ray radiation comprises two diffraction means which can be rotated independently and independent means for translationally moving one diffraction means with respect to the other. The independence of the rotational and translational motions allows Bragg angles from 3.5/sup 0/ to 86.5/sup 0/, and facilitates precise and high-resolution monochromatization over a wide energy range. The diffraction means are removably mounted so as to be readily interchangeable, which allows the monochromator to be used for both non-dispersive and low dispersive.
Study of a scattering shield in a high heat load monochromator...
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Study of a scattering shield in a high heat load monochromator Citation Details In-Document Search Title: Study of a scattering shield in a high heat load monochromator Authors: ...
Optical system for high resolution spectrometer/monochromator
Hettrick, Michael C.; Underwood, James H.
1988-01-01
An optical system for use in a spectrometer or monochromator employing a mirror which reflects electromagnetic radiation from a source to converge with same in a plane. A straight grooved, varied-spaced diffraction grating receives the converging electromagnetic radiation from the mirror and produces a spectral image for capture by a detector, target or like receiver.
Optical system for high resolution spectrometer/monochromator
Hettrick, M.C.; Underwood, J.H.
1988-10-11
An optical system for use in a spectrometer or monochromator employing a mirror which reflects electromagnetic radiation from a source to converge with same in a plane is disclosed. A straight grooved, varied-spaced diffraction grating receives the converging electromagnetic radiation from the mirror and produces a spectral image for capture by a detector, target or like receiver. 11 figs.
Inclined monochromator for high heat-load synchrotron x-ray radiation
Khounsary, A.M.
1994-02-15
A double crystal monochromator is described including two identical, parallel crystals, each of which is cut such that the normal to the diffraction planes of interest makes an angle less than 90 degrees with the surface normal. Diffraction is symmetric, regardless of whether the crystals are symmetrically or asymmetrically cut, enabling operation of the monochromator with a fixed plane of diffraction. As a result of the inclination of the crystal surface, an incident beam has a footprint area which is elongated both vertically and horizontally when compared to that of the conventional monochromator, reducing the heat flux of the incident beam and enabling more efficient surface cooling. Because after inclination of the crystal only a fraction of thermal distortion lies in the diffraction plane, slope errors and the resultant misorientation of the diffracted beam are reduced. 11 figures.
Ultra-stable sub-meV monochromator for hard X-rays
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Toellner, T. S.; Collins, J.; Goetze, K.; Hu, M. Y.; Preissner, C.; Trakhtenberg, E.; Yan, L.
2015-07-17
A high-resolution silicon monochromator suitable for 21.541 keV synchrotron radiation is presented that produces a bandwidth of 0.27 meV. The operating energy corresponds to a nuclear transition in 151Eu. The first-of-its-kind, fully cryogenic design achieves an energy-alignment stability of 0.017 meV r.m.s. per day, or a 100-fold improvement over other meV-monochromators, and can tolerate higher X-ray power loads than room-temperature designs of comparable resolution. This offers the potential for significantly more accurate measurements of lattice excitation energies using nuclear resonant vibrational spectroscopy if combined with accurate energy calibration using, for example, high-speed Doppler shifting. The design of the monochromator alongmoreÂ Â» with its performance and impact on transmitted beam properties are presented.Â«Â less
Ultra-stable sub-meV monochromator for hard X-rays
Toellner, T. S.; Collins, J.; Goetze, K.; Hu, M. Y.; Preissner, C.; Trakhtenberg, E.; Yan, L.
2015-07-17
A high-resolution silicon monochromator suitable for 21.541 keV synchrotron radiation is presented that produces a bandwidth of 0.27 meV. The operating energy corresponds to a nuclear transition in ^{151}Eu. The first-of-its-kind, fully cryogenic design achieves an energy-alignment stability of 0.017 meV r.m.s. per day, or a 100-fold improvement over other meV-monochromators, and can tolerate higher X-ray power loads than room-temperature designs of comparable resolution. This offers the potential for significantly more accurate measurements of lattice excitation energies using nuclear resonant vibrational spectroscopy if combined with accurate energy calibration using, for example, high-speed Doppler shifting. The design of the monochromator along with its performance and impact on transmitted beam properties are presented.
Inclined monochromator for high heat-load synchrotron x-ray radiation
Khounsary, Ali M.
1994-01-01
A double crystal monochromator including two identical, parallel crystals, each of which is cut such that the normal to the diffraction planes of interest makes an angle less than 90 degrees with the surface normal. Diffraction is symmetric, regardless of whether the crystals are symmetrically or asymmetrically cut, enabling operation of the monochromator with a fixed plane of diffraction. As a result of the inclination of the crystal surface, an incident beam has a footprint area which is elongated both vertically and horizontally when compared to that of the conventional monochromator, reducing the heat flux of the incident beam and enabling more efficient surface cooling. Because after inclination of the crystal only a fraction of thermal distortion lies in the diffraction plane, slope errors and the resultant misorientation of the diffracted beam are reduced.
Floyd, M.A.
1980-03-01
A computer controlled, scanning monochromator system specifically designed for the rapid, sequential determination of the elements is described. The monochromator is combined with an inductively coupled plasma excitation source so that elements at major, minor, trace, and ultratrace levels may be determined, in sequence, without changing experimental parameters other than the spectral line observed. A number of distinctive features not found in previously described versions are incorporated into the system here described. Performance characteristics of the entire system and several analytical applications are discussed.
Single-crystal sapphire microstructure for high-resolution synchrotron X-ray monochromators
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Asadchikov, Victor E.; Butashin, Andrey V.; Buzmakov, Alexey V.; Deryabin, Alexander N.; Kanevsky, Vladimir M.; Prokhorov, Igor A.; Roshchin, Boris S.; Volkov, Yuri O.; Zolotov, Dennis A.; Jafari, Atefeh; et al
2016-03-22
We report on the growth and characterization of several sapphire single crystals for the purpose of x-ray optics applications. Structural defects were studied by means of laboratory double-crystal X-ray diffractometry and white beam synchrotron-radiation topography. The investigations confirmed that the main defect types are dislocations. The best quality crystal was grown using the Kyropoulos technique with a dislocation density of 102-103 cm-2 and a small area with approximately 2*2 mm2 did not show dislocation contrast in many reflections and has suitable quality for application as a backscattering monochromator. As a result, a clear correlation between growth rate and dislocation densitymoreÂ Â» is observed, though growth rate is not the only parameter impacting the quality.Â«Â less
Poletto, L.; Villoresi, P.; Benedetti, E.; Ferrari, F.; Stagira, S.; Sansone, G.; Nisoli, M.
2008-07-15
Ultrafast extreme-ultraviolet pulses are spectrally selected by a time-delay-compensated grating monochromator. The intrinsic very short duration of the pulses is obtained by exploiting the high-order harmonic generation process. The temporal characterization of the harmonic pulses is obtained using a cross-correlation method: pulses as short as 8 fs are measured at the output of the monochromator in the case of the 23rd harmonic. This value is in agreement with the expected duration of such pulses, indicating that the influence of the monochromator is negligible. The photon flux has been measured with a calibrated photodiode, pointing out the good efficiency of the monochromator, derived by the exploitation for the two gratings of the conical diffraction mounting.
Feng, Jun, Thompson,A.C.; Padmore,H.A.
2000-02-24
In collaboration with the Chemistry Department at the University of California at Berkeley, the ALS is building a beamline for structural determination in materials chemistry. The system will be used for single crystal x-ray diffraction on crystals that are too small or disordered for examination on laboratory systems, and typically will be used for crystals in the 5 - 20 micron regime. As some of the materials being designed are of the size of small proteins, phasing using direct methods is problematic, and so use of multiple wavelength anomalous dispersion techniques will be employed in many cases. The production of new compounds has been revolutionized in recent years with the development of combinatorial synthesis techniques, and a major b2048 to further advances in this field is access to rapid measurement of structural parameters. The specification of the beamline follows from these points. It must have a small focal spot to match closely the size of the crystals, high resolution for MAD techniques, and a high flux in the small focus. The strategy for satisfying these constraints is to us a system which is compact and which uses the minimum number of components. This is done in this case by using a pseudo channel cut crystal monochromator with tangentially bent crystals, in combination with a 1:1 focusing toroidal mirror. The toroidal mirror at 1:1 magnification has only very small aberrations, and from a 220 (h) by 25 (v) [micro] m FWHM source, an image of 220 by 45 [micro]m FWHM should be produced for a 3 mrad horizontal aperture for a full vertical aperture. This has already been achieved on an existing beamline. The crystal monochromator uses tangentially bent crystals in a concave - convex configuration to achieve matching of Bragg angles to the divergent source, while maintaining zero focusing power. A useful feature of this arrangement is that while there is an optimum crystal curvature for each energy that gives the expected Darwin width limited resolution, fixing the curvature gives approximately ideal resolution over typically 2 keV for the ALS bending magnet source. A further simplification is that the whole optical system will be inside the shield wall, with only a small pipe emerging from the shield wall to feed a standard commercial diffraction system. This means that the mirror will be at only 6.5 m from the source. This means that the toroidal mirror can be as short as 300 mm while collecting most of the vertical radiation fan. In addition, as the required tangential slope error is related to the angular size of the source, putting the mirror close reduces the slope error requirements substantially. These aspects together should result in a simple, low cost and very high performance system for small crystal, small molecule cr2048llography.
Keawprasert, T.; Anhalt, K.; Taubert, D. R.; Sperling, A.; Schuster, M.; Nevas, S.
2013-09-11
An LP3 radiation thermometer was absolutely calibrated at a newly developed monochromator-based set-up and the TUneable Lasers in Photometry (TULIP) facility of PTB in the wavelength range from 400 nm to 1100 nm. At both facilities, the spectral radiation of the respective sources irradiates an integrating sphere, thus generating uniform radiance across its precision aperture. The spectral irradiance of the integrating sphere is determined via an effective area of a precision aperture and a Si trap detector, traceable to the primary cryogenic radiometer of PTB. Due to the limited output power from the monochromator, the absolute calibration was performed with the measurement uncertainty of 0.17 % (k= 1), while the respective uncertainty at the TULIP facility is 0.14 %. Calibration results obtained by the two facilities were compared in terms of spectral radiance responsivity, effective wavelength and integral responsivity. It was found that the measurement results in integral responsivity at the both facilities are in agreement within the expanded uncertainty (k= 2). To verify the calibration accuracy, the absolutely calibrated radiation thermometer was used to measure the thermodynamic freezing temperatures of the PTB gold fixed-point blackbody.
New SRC APPLE ll Variable Polarization Beamline
M Severson; M Bissen; M Fisher; G Rogers; R Reininger; M Green; D Eisert; B Tredinnick
2011-12-31
SRC has recently commissioned a new Varied Line-Spacing Plane Grating Monochromator (VLS-PGM) utilizing as its source a 1 m long APPLE II insertion device in short-straight-section 9 of the Aladdin storage ring. The insertion device reliably delivers horizontal, vertical, and right and left circularly polarized light to the beamline. Measurements from an in situ polarimeter can be used for undulator corrections to compensate for depolarizing effects of the beamline. The beamline has only three optical elements and covers the energy range from 11.1 to 270 eV using two varied line-spacing gratings. A plane mirror rotates to illuminate the gratings at the correct angle to cancel the defocus term at all photon energies. An exit slit and elliptical-toroid refocusing mirror complete the beamline. Using a 50 {mu}m exit slit, the beamline provides moderate to high resolution, with measured flux in the mid 10{sup 12} (photons/s/200 mA) range, and a spot size of 400 {mu}m horizontal by 30 {mu}m vertical.
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Calculator SRU Calculator About SRUs You can use this form to estimate your mass storage charges (in SRUs). SRUs are calculated on a daily basis. Enter your estimated daily average number of files and data storage and your yearly estimate of data transferred to and from the HPSS system. Click on Calculate and your SRU charge will appear in the light blue boxes. Enter average daily values for the allocation year Number of files*: Amount of data stored*: GB Enter total HPSS I/O for the allocation
Amemiya, Kenta; Toyoshima, Akio; Kikuchi, Takashi; Kosuge, Takashi; Nigorikawa, Kazuyuki; Sumii, Ryohei; Ito, Kenji
2010-06-23
The design and commissioning of a new soft X-ray beamline, BL-16A, at the Photon Factory is presented. The beamline consists of a pre-focusing mirror, an entrance slit, a variable-included-angle varied-line-spacing plane grating monochromator, and a post-focusing system as usual, and provides circularly and linearly polarized soft X rays in the energy range 200-1500 eV with an APPLE-II type undulator. The commissioning procedure for the beamline optics is described in detail, especially the check of the focal position for the zero-th order and diffracted X rays.
Sagittal focusing Laue monochromator
Zhong; Zhong , Hanson; Jonathan , Hastings; Jerome , Kao; Chi-Chang , Lenhard; Anthony , Siddons; David Peter , Zhong; Hui
2009-03-24
An x-ray focusing device generally includes a slide pivotable about a pivot point defined at a forward end thereof, a rail unit fixed with respect to the pivotable slide, a forward crystal for focusing x-rays disposed at the forward end of the pivotable slide and a rearward crystal for focusing x-rays movably coupled to the pivotable slide and the fixed rail unit at a distance rearward from the forward crystal. The forward and rearward crystals define reciprocal angles of incidence with respect to the pivot point, wherein pivoting of the slide about the pivot point changes the incidence angles of the forward and rearward crystals while simultaneously changing the distance between the forward and rearward crystals.
Energy Science and Technology Software Center (OSTI)
2000-05-22
This software calculates a Wet Bulb Globe Temperature (WBGT) using standard measurements from a meteorological station. WBGT is used by Industrial Hygenists (IH) to determine heat stress potential to outdoor workers. Through the mid 1990''s, SRS technicians were dispatched several times daily to measure WBGT with a custom hand held instrument and results were dessiminated via telephone. Due to workforce reductions, the WSRC IH Department asked for the development of an automated method to simulatemoreÂ Â» the WBGT measurement using existing real time data from the Atmospheric Technologies Group''s meteorological monitoring network.Â«Â less
Seidler, G. T. Mortensen, D. R.; Remesnik, A. J.; Pacold, J. I.; Ball, N. A.; Barry, N.; Styczinski, M.; Hoidn, O. R.
2014-11-15
We report the development of a laboratory-based Rowland-circle monochromator that incorporates a low power x-ray (bremsstrahlung) tube source, a spherically bent crystal analyzer, and an energy-resolving solid-state detector. This relatively inexpensive, introductory level instrument achieves 1-eV energy resolution for photon energies of ?5 keV to ?10 keV while also demonstrating a net efficiency previously seen only in laboratory monochromators having much coarser energy resolution. Despite the use of only a compact, air-cooled 10 W x-ray tube, we find count rates for nonresonant x-ray emission spectroscopy comparable to those achieved at monochromatized spectroscopy beamlines at synchrotron light sources. For x-ray absorption near edge structure, the monochromatized flux is small (due to the use of a low-powered x-ray generator) but still useful for routine transmission-mode studies of concentrated samples. These results indicate that upgrading to a standard commercial high-power line-focused x-ray tube or rotating anode x-ray generator would result in monochromatized fluxes of order 10{sup 6}–10{sup 7} photons/s with no loss in energy resolution. This work establishes core technical capabilities for a rejuvenation of laboratory-based hard x-ray spectroscopies that could have special relevance for contemporary research on catalytic or electrical energy storage systems using transition-metal, lanthanide, or noble-metal active species.
Kugland, Nathan; Doeppner, Tilo; Glenzer, Siegfried; Constantin, Carmen; Niemann, Chris; Neumayer, Paul
2015-04-07
A method is provided for characterizing spectrometric properties (e.g., peak reflectivity, reflection curve width, and Bragg angle offset) of the K.alpha. emission line reflected narrowly off angle of the direct reflection of a bent crystal and in particular of a spherically bent quartz 200 crystal by analyzing the off-angle x-ray emission from a stronger emission line reflected at angles far from normal incidence. The bent quartz crystal can therefore accurately image argon K.alpha. x-rays at near-normal incidence (Bragg angle of approximately 81 degrees). The method is useful for in-situ calibration of instruments employing the crystal as a grating by first operating the crystal as a high throughput focusing monochromator on the Rowland circle at angles far from normal incidence (Bragg angle approximately 68 degrees) to make a reflection curve with the He-like x-rays such as the He-.alpha. emission line observed from a laser-excited plasma.
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
sided bounce Mirror (M1) 31.3 m Heat-sink, side bounce Monochromater (M2, LEG, MEG, HEG) 39.7 m In-Focus VLS-PGM Exit Slit 59.7 m Both RSXS and ARPES branchlines Mirror...
Hydrogen Threshold Cost Calculation
Broader source: Energy.gov [DOE]
DOE Hydrogen Program Record number11007, Hydrogen Threshold Cost Calculation, documents the methodology and assumptions used to calculate that threshold cost.
Broader source: Energy.gov [DOE]
Original Impact Calculations, from the Tool Kit Framework: Small Town University Energy Program (STEP).
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
for Potential Studies in the Northwest V1.0 Utility Potential Calculator V1.0 for Excel 2007 Utility Potential Calculator V1.0 for Excel 2003 Note: BPA developed the Utility...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
CalculatorsWind Chill Calculations Outreach Home Room News Publications Traditional Knowledge Kiosks Barrow, Alaska Tropical Western Pacific Site Tours Contacts Students Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox Lesson Plans Wind Chill Calculations Wind Chill is the apparent temperature felt on the exposed human body owing to the combination of temperature and wind speed. From 1945 to 2001, Wind Chill was calculated by the Siple
ARM - Relative Humidity Calculations
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
CalculatorsRelative Humidity Calculations Outreach Home Room News Publications Traditional Knowledge Kiosks Barrow, Alaska Tropical Western Pacific Site Tours Contacts Students Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox Lesson Plans Relative Humidity Calculations Heat Index is an index that combines air temperature and relative humidity to estimate how hot it actually feels. The human body cools off through perspiration, which
Waste Package Lifting Calculation
H. Marr
2000-05-11
The objective of this calculation is to evaluate the structural response of the waste package during the horizontal and vertical lifting operations in order to support the waste package lifting feature design. The scope of this calculation includes the evaluation of the 21 PWR UCF (pressurized water reactor uncanistered fuel) waste package, naval waste package, 5 DHLW/DOE SNF (defense high-level waste/Department of Energy spent nuclear fuel)--short waste package, and 44 BWR (boiling water reactor) UCF waste package. Procedure AP-3.12Q, Revision 0, ICN 0, calculations, is used to develop and document this calculation.
Multiphase flow calculation software
Fincke, James R.
2003-04-15
Multiphase flow calculation software and computer-readable media carrying computer executable instructions for calculating liquid and gas phase mass flow rates of high void fraction multiphase flows. The multiphase flow calculation software employs various given, or experimentally determined, parameters in conjunction with a plurality of pressure differentials of a multiphase flow, preferably supplied by a differential pressure flowmeter or the like, to determine liquid and gas phase mass flow rates of the high void fraction multiphase flows. Embodiments of the multiphase flow calculation software are suitable for use in a variety of applications, including real-time management and control of an object system.
Ramble, A.L.
1996-09-30
This document contains a review of the calculation notes which were prepared for the Tank Waste Remediation System Basis for Interim Operation.
Broader source: Energy.gov [DOE]
This Excel spreadsheet is designed to perform the calculations necessary to determine PEI -- a pump's energy index -- as proposed in DOE's Notices of Proposed Rulemaking (Dockets EERE-2011-BT-STD-0031 and EERE-2013-BT-TP-0055). DOE is providing this calculator as a convenience at the request of interested parties.
Energy Science and Technology Software Center (OSTI)
1997-06-10
VENTSAR XL is an EXCEL Spreadsheet that can be used to calculate downwind doses as a result of a hypothetical atmospheric release. Both building effects and plume rise may be considered. VENTSAR XL will run using any version of Microsoft EXCEL version 4.0 or later. Macros (the programming language of EXCEL) was used to automate the calculations. The user enters a minimal amount of input and the code calculates the resulting concentrations and doses atmoreÂ Â» various downwind distances as specified by the user.Â«Â less
Annual GHG Emissions (lbs of CO2) Vehicle Cost Calculator See Assumptions and Methodology Back Next U.S. Department of Energy Energy Efficiency and Renewable Energy Get Widget Code
Broader source: Energy.gov [DOE]
Our appliance and electronic energy use calculator allows you to estimate your annual energy use and cost to operate specific products. The wattage values provided are samples only; actual wattage...
Annual Fuel Cost gal Annual GHG Emissions (lbs of CO2) Vehicle Cost Calculator See Assumptions and Methodology Back Next U.S. Department of Energy Energy Efficiency and ...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox Lesson Plans Heat Index Calculations Heat Index is an index that ...
Jobs Calculator | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Jobs Calculator Jobs Calculator Office spreadsheet icon owip_jobs_calculator_v11-0.xls More Documents & Publications WPN 10-14: Calculation of Job Creation through DOE Recovery Act Funding Progress Report Template Job Counting Guidelines
Geothermal Life Cycle Calculator
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Sullivan, John
This calculator is a handy tool for interested parties to estimate two key life cycle metrics, fossil energy consumption (Etot) and greenhouse gas emission (ghgtot) ratios, for geothermal electric power production. It is based solely on data developed by Argonne National Laboratory for DOE’s Geothermal Technologies office. The calculator permits the user to explore the impact of a range of key geothermal power production parameters, including plant capacity, lifetime, capacity factor, geothermal technology, well numbers and depths, field exploration, and others on the two metrics just mentioned. Estimates of variations in the results are also available to the user.
Geothermal Life Cycle Calculator
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Sullivan, John
2014-03-11
This calculator is a handy tool for interested parties to estimate two key life cycle metrics, fossil energy consumption (Etot) and greenhouse gas emission (ghgtot) ratios, for geothermal electric power production. It is based solely on data developed by Argonne National Laboratory for DOE’s Geothermal Technologies office. The calculator permits the user to explore the impact of a range of key geothermal power production parameters, including plant capacity, lifetime, capacity factor, geothermal technology, well numbers and depths, field exploration, and others on the two metrics just mentioned. Estimates of variations in the results are also available to the user.
Geothermal Life Cycle Calculator
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Sullivan, John
2014-03-11
This calculator is a handy tool for interested parties to estimate two key life cycle metrics, fossil energy consumption (Etot) and greenhouse gas emission (ghgtot) ratios, for geothermal electric power production. It is based solely on data developed by Argonne National Laboratory for DOEâ€™s Geothermal Technologies office. The calculator permits the user to explore the impact of a range of key geothermal power production parameters, including plant capacity, lifetime, capacity factor, geothermal technology, well numbers and depths, field exploration, and others on the two metrics just mentioned. Estimates of variations in the results are also available to the user.
Moran, B.; Attia, A.
1995-07-01
When a deeply penetrating munition explodes above the roof of a tunnel, the amount of rubble that falls inside the tunnel is primarily a function of three parameters: first the cube-root scaled distance from the center of the explosive to the roof of the tunnel. Second the material properties of the rock around the tunnel, and in particular the shear strength of that rock, its RQD (Rock Quality Designator), and the extent and orientation of joints. And third the ratio of the tunnel diameter to the standoff distance (distance between the center of explosive and the tunnel roof). The authors have used CALE, a well-established 2-D hydrodynamic computer code, to calculate the amount of rubble that falls inside a tunnel as a function of standoff distance for two different tunnel diameters. In particular they calculated three of the tunnel collapse experiments conducted in an iron ore mine near Kirkeness, Norway in the summer of 1994. The failure model that they used in their calculations combines an equivalent plastic strain criterion with a maximum tensile strength criterion and can be calibrated for different rocks using cratering data as well as laboratory experiments. These calculations are intended to test and improve the understanding of both the Norway Experiments and the ACE (Array of conventional Explosive) phenomenology.
Broader source: Energy.gov [DOE]
This calculator estimates the amount of carbon emissions you and members of your household are responsible for. It does not include emissions associated with your work or getting to work if you commute by public transportation. It was developed by IEEE Spectrum magazine.
Plutonium 239 Equivalency Calculations
Wen, J
2011-05-31
This document provides the basis for converting actual weapons grade plutonium mass to a plutonium equivalency (PuE) mass of Plutonium 239. The conversion can be accomplished by performing calculations utilizing either: (1) Isotopic conversions factors (CF{sub isotope}), or (2) 30-year-old weapons grade conversion factor (CF{sub 30 yr}) Both of these methods are provided in this document. Material mass and isotopic data are needed to calculate PuE using the isotopic conversion factors, which will provide the actual PuE value at the time of calculation. PuE is the summation of the isotopic masses times their associated isotopic conversion factors for plutonium 239. Isotopic conversion factors are calculated by a normalized equation, relative to Plutonium 239, of specific activity (SA) and cumulated dose inhalation affects based on 50-yr committed effective dose equivalent (CEDE). The isotopic conversion factors for converting weapons grade plutonium to PuE are provided in Table-1. The unit for specific activity (SA) is curies per gram (Ci/g) and the isotopic SA values come from reference [1]. The cumulated dose inhalation effect values in units of rem/Ci are based on 50-yr committed effective dose equivalent (CEDE). A person irradiated by gamma radiation outside the body will receive a dose only during the period of irradiation. However, following an intake by inhalation, some radionuclides persist in the body and irradiate the various tissues for many years. There are three groups CEDE data representing lengths of time of 0.5 (D), 50 (W) and 500 (Y) days, which are in reference [2]. The CEDE values in the (W) group demonstrates the highest dose equivalent value; therefore they are used for the calculation.
Nuclear Material Variance Calculation
Energy Science and Technology Software Center (OSTI)
1995-01-01
MAVARIC (Materials Accounting VARIance Calculations) is a custom spreadsheet that significantly reduces the effort required to make the variance and covariance calculations needed to determine the detection sensitivity of a materials accounting system and loss of special nuclear material (SNM). The user is required to enter information into one of four data tables depending on the type of term in the materials balance (MB) equation. The four data tables correspond to input transfers, output transfers,moreÂ Â» and two types of inventory terms, one for nondestructive assay (NDA) measurements and one for measurements made by chemical analysis. Each data entry must contain an identification number and a short description, as well as values for the SNM concentration, the bulk mass (or solution volume), the measurement error standard deviations, and the number of measurements during an accounting period. The user must also specify the type of error model (additive or multiplicative) associated with each measurement, and possible correlations between transfer terms. Predefined spreadsheet macros are used to perform the variance and covariance calculations for each term based on the corresponding set of entries. MAVARIC has been used for sensitivity studies of chemical separation facilities, fuel processing and fabrication facilities, and gas centrifuge and laser isotope enrichment facilities.Â«Â less
Zero Temperature Hope Calculations
Rozsnyai, B F
2002-07-26
The primary purpose of the HOPE code is to calculate opacities over a wide temperature and density range. It can also produce equation of state (EOS) data. Since the experimental data at the high temperature region are scarce, comparisons of predictions with the ample zero temperature data provide a valuable physics check of the code. In this report we show a selected few examples across the periodic table. Below we give a brief general information about the physics of the HOPE code. The HOPE code is an ''average atom'' (AA) Dirac-Slater self-consistent code. The AA label in the case of finite temperature means that the one-electron levels are populated according to the Fermi statistics, at zero temperature it means that the ''aufbau'' principle works, i.e. no a priory electronic configuration is set, although it can be done. As such, it is a one-particle model (any Hartree-Fock model is a one particle model). The code is an ''ion-sphere'' model, meaning that the atom under investigation is neutral within the ion-sphere radius. Furthermore, the boundary conditions for the bound states are also set at the ion-sphere radius, which distinguishes the code from the INFERNO, OPAL and STA codes. Once the self-consistent AA state is obtained, the code proceeds to generate many-electron configurations and proceeds to calculate photoabsorption in the ''detailed configuration accounting'' (DCA) scheme. However, this last feature is meaningless at zero temperature. There is one important feature in the HOPE code which should be noted; any self-consistent model is self-consistent in the space of the occupied orbitals. The unoccupied orbitals, where electrons are lifted via photoexcitation, are unphysical. The rigorous way to deal with that problem is to carry out complete self-consistent calculations both in the initial and final states connecting photoexcitations, an enormous computational task. The Amaldi correction is an attempt to address this problem by distorting the outer part of the self-consistent potential in such a way that in the final state after photoexcitation or photoionization the newly occupied orbital sees the hole left in the initial state. This is very important to account for the large number of Rydberg states in the case of low densities. In the next Section we show calculated photoabsorptions compared with experimental data in figures with some rudimentary explanations.
Calculation of Electron Trajectories
Energy Science and Technology Software Center (OSTI)
1982-06-01
EGUN, the SLAC Electron Trajectory Program, computes trajectories of charged particles in electrostatic and magnetostatic focusing systems including the effects of space charge and self-magnetic fields. Starting options include Child''s Law conditions on cathodes of various shapes, user-specified initial conditions for each ray, and a combination of Child''s Law conditions and user specifications. Either rectangular or cylindrically symmetric geometry may be used. Magnetic fields may be specified using arbitrary configuration of coils, or the outputmoreÂ Â» of a magnet program, such as Poisson, or by an externally calculated array of the axial fields.Â«Â less
Energy Science and Technology Software Center (OSTI)
2013-11-22
The software options currently supported by the simulation engine can be seen/experienced at www.roofcalc.com. It defaults all values to national averages with options to test a base-case (residential or commercial) building versus a comparison building with inputs for building type, location, building vintage, conditioned area, number of floors, and window-to-wall ratio, cooling system efficiency, type of heating, heating system efficiency, duct location, roof/ceiling insulation level, above-sheathing ventilation, radiant barrier, roof thermal mass, roof solar reflectance,moreÂ Â» roof thermal emittance, utility costs, roof pitch. The Roof Savings Caculator Suite adds utilities and website/web service and the integration of AtticSim with DOE-2.1E, with the end-result being Roof Savings Calculator.Â«Â less
New, Joshua R; Garrett, Aaron; Erdem, Ender; Huang, Yu
2013-11-22
The software options currently supported by the simulation engine can be seen/experienced at www.roofcalc.com. It defaults all values to national averages with options to test a base-case (residential or commercial) building versus a comparison building with inputs for building type, location, building vintage, conditioned area, number of floors, and window-to-wall ratio, cooling system efficiency, type of heating, heating system efficiency, duct location, roof/ceiling insulation level, above-sheathing ventilation, radiant barrier, roof thermal mass, roof solar reflectance, roof thermal emittance, utility costs, roof pitch. The Roof Savings Caculator Suite adds utilities and website/web service and the integration of AtticSim with DOE-2.1E, with the end-result being Roof Savings Calculator.
How Are Momentum Savings Calculated?
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Simplifying the Math: How Are Momentum Savings Calculated? Many people have heard about Momentum savings but don't understand how these types of savings are calculated. The short...
Equilibrium calculations of firework mixtures
Hobbs, M.L.; Tanaka, Katsumi; Iida, Mitsuaki; Matsunaga, Takehiro
1994-12-31
Thermochemical equilibrium calculations have been used to calculate detonation conditions for typical firework components including three report charges, two display charges, and black powder which is used as a fuse or launch charge. Calculations were performed with a modified version of the TIGER code which allows calculations with 900 gaseous and 600 condensed product species at high pressure. The detonation calculations presented in this paper are thought to be the first report on the theoretical study of firework detonation. Measured velocities for two report charges are available and compare favorably to predicted detonation velocities. However, the measured velocities may not be true detonation velocities. Fast deflagration rather than an ideal detonation occurs when reactants contain significant amounts of slow reacting constituents such as aluminum or titanium. Despite such uncertainties in reacting pyrotechnics, the detonation calculations do show the complex nature of condensed phase formation at elevated pressures and give an upper bound for measured velocities.
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
are two separate equations with second derivatives of v ex and v ix instead of one equation including the second derivative of v. The resulting equations still contain E x ,...
Two-axis sagittal focusing monochromator
Haas, Edwin G; Stelmach, Christopher; Zhong, Zhong
2014-05-13
An x-ray focusing device and method for adjustably focusing x-rays in two orthogonal directions simultaneously. The device and method can be operated remotely using two pairs of orthogonal benders mounted on a rigid, open frame such that x-rays may pass through the opening in the frame. The added x-ray flux allows significantly higher brightness from the same x-ray source.
Multiple wavelength X-ray monochromators
Steinmeyer, Peter A.
1992-11-17
An improved apparatus and method is provided for separating input x-ray radiation containing first and second x-ray wavelengths into spatially separate first and second output radiation which contain the first and second x-ray wavelengths, respectively. The apparatus includes a crystalline diffractor which includes a first set of parallel crystal planes, where each of the planes is spaced a predetermined first distance from one another. The crystalline diffractor also includes a second set of parallel crystal planes inclined at an angle with respect to the first set of crystal planes where each of the planes of the second set of parallel crystal planes is spaced a predetermined second distance from one another. In one embodiment, the crystalline diffractor is comprised of a single crystal. In a second embodiment, the crystalline diffractor is comprised of a stack of two crystals. In a third embodiment, the crystalline diffractor includes a single crystal that is bent for focussing the separate first and second output x-ray radiation wavelengths into separate focal points.
Multiple wavelength X-ray monochromators
Steinmeyer, P.A.
1992-11-17
An improved apparatus and method is provided for separating input x-ray radiation containing first and second x-ray wavelengths into spatially separate first and second output radiation which contain the first and second x-ray wavelengths, respectively. The apparatus includes a crystalline diffractor which includes a first set of parallel crystal planes, where each of the planes is spaced a predetermined first distance from one another. The crystalline diffractor also includes a second set of parallel crystal planes inclined at an angle with respect to the first set of crystal planes where each of the planes of the second set of parallel crystal planes is spaced a predetermined second distance from one another. In one embodiment, the crystalline diffractor is comprised of a single crystal. In a second embodiment, the crystalline diffractor is comprised of a stack of two crystals. In a third embodiment, the crystalline diffractor includes a single crystal that is bent for focusing the separate first and second output x-ray radiation wavelengths into separate focal points. 3 figs.
Energy Escalation Rate Calculator Download
Broader source: Energy.gov [DOE]
Energy Escalation Rate Calculator (EERC) computes an average annual escalation rate for a specified time period, which can be used as an escalation rate for contract payments in energy savings performance contracts and utility energy services contracts.
Home Energy Score Calculation Methodology
Broader source: Energy.gov [DOE]
A Qualified Assessor calculates the Home Energy Score by first conducting a brief walk-through of the home and collecting approximately 40 data points. Next, the Qualified Assessor uses the Home...
Multigroup Reactor Lattice Cell Calculation
Energy Science and Technology Software Center (OSTI)
1990-03-01
The Winfrith Improved Multigroup Scheme (WIMS), is a general code for reactor lattice cell calculations on a wide range of reactor systems. In particular, the code will accept rod or plate fuel geometries in either regular arrays or in clusters, and the energy group structure has been chosen primarily for thermal calculations. The basic library has been compiled with 14 fast groups, 13 resonance groups and 42 thermal groups, but the user is offered themoreÂ Â» choice of accurate solutions in many groups or rapid calculations in few groups. Temperature dependent thermal scattering matrices for a variety of scattering laws are available in the library for the principal moderators which include hydrogen, deuterium, graphite, beryllium and oxygen. WIMSD5 is a succesor version of WIMS-D/4.Â«Â less
Canister Transfer Facility Criticality Calculations
J.E. Monroe-Rammsy
2000-10-13
The objective of this calculation is to evaluate the criticality risk in the surface facility for design basis events (DBE) involving Department of Energy (DOE) Spent Nuclear Fuel (SNF) standardized canisters (Civilian Radioactive Waste Management System [CRWMS] Management and Operating Contractor [M&O] 2000a). Since some of the canisters will be stored in the surface facility before they are loaded in the waste package (WP), this calculation supports the demonstration of concept viability related to the Surface Facility environment. The scope of this calculation is limited to the consideration of three DOE SNF fuels, specifically Enrico Fermi SNF, Training Research Isotope General Atomic (TRIGA) SNF, and Mixed Oxide (MOX) Fast Flux Test Facility (FFTF) SNF.
Petrophysical corner - calculating water cut
Elphick, R.Y. )
1990-02-01
The problem of determining the amount of water cut that can be expected from a well is discussed in conjunction with a program for making this calculation. The program was written for Amiga, Apple Macintosh, and MS DOS personal computers and source code for the program is provided.
AGING FACILITY CRITICALITY SAFETY CALCULATIONS
C.E. Sanders
2004-09-10
The purpose of this design calculation is to revise and update the previous criticality calculation for the Aging Facility (documented in BSC 2004a). This design calculation will also demonstrate and ensure that the storage and aging operations to be performed in the Aging Facility meet the criticality safety design criteria in the ''Project Design Criteria Document'' (Doraswamy 2004, Section 4.9.2.2), and the functional nuclear criticality safety requirement described in the ''SNF Aging System Description Document'' (BSC [Bechtel SAIC Company] 2004f, p. 3-12). The scope of this design calculation covers the systems and processes for aging commercial spent nuclear fuel (SNF) and staging Department of Energy (DOE) SNF/High-Level Waste (HLW) prior to its placement in the final waste package (WP) (BSC 2004f, p. 1-1). Aging commercial SNF is a thermal management strategy, while staging DOE SNF/HLW will make loading of WPs more efficient (note that aging DOE SNF/HLW is not needed since these wastes are not expected to exceed the thermal limits form emplacement) (BSC 2004f, p. 1-2). The description of the changes in this revised document is as follows: (1) Include DOE SNF/HLW in addition to commercial SNF per the current ''SNF Aging System Description Document'' (BSC 2004f). (2) Update the evaluation of Category 1 and 2 event sequences for the Aging Facility as identified in the ''Categorization of Event Sequences for License Application'' (BSC 2004c, Section 7). (3) Further evaluate the design and criticality controls required for a storage/aging cask, referred to as MGR Site-specific Cask (MSC), to accommodate commercial fuel outside the content specification in the Certificate of Compliance for the existing NRC-certified storage casks. In addition, evaluate the design required for the MSC that will accommodate DOE SNF/HLW. This design calculation will achieve the objective of providing the criticality safety results to support the preliminary design of the Aging Facility. As the ongoing design evolution remains fluid, the results from this design calculation should be evaluated for applicability to any new or modified design. Consequently, the results presented in this document are limited to the current design. The information contained in this document was developed by Environmental and Nuclear Engineering and is intended for the use of Design and Engineering in its work regarding the various criticality related activities performed in the Aging Facility. Yucca Mountain Project personnel from Environmental and Nuclear Engineering should be consulted before the use of the information for purposes other than those stated herein or use by individuals other than authorized personnel in Design and Engineering.
Analysis of Hydraulic Conductivity Calculations
Green, R.E.
2003-01-06
Equations by Marshall and by Millington and Quirk for calculating hydraulic conductivity from pore-size distribution data are dependent on an arbitrary choice of the exponent on the porosity term and a correct estimate of residual water. This study showed that a revised equation, based on the pore-interaction model of Marshall, accurately predicts hydraulic conductivity for glass beads and a loam soil from the pressure-water content relationships of these porous materials.
Alternative Fuels Data Center: Vehicle Cost Calculator
Tools Printable Version Share this resource Send a link to Alternative Fuels Data Center: Vehicle Cost Calculator to someone by E-mail Share Alternative Fuels Data Center: Vehicle Cost Calculator on Facebook Tweet about Alternative Fuels Data Center: Vehicle Cost Calculator on Twitter Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator on Google Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator on Delicious Rank Alternative Fuels Data Center: Vehicle Cost Calculator on
Incorporating Weather Data into Energy Savings Calculations ...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Incorporating Weather Data into Energy Savings Calculations Incorporating Weather Data into Energy Savings Calculations Better Buildings Residential Network Peer Exchange Call...
USAID Carbon Calculator | Open Energy Information
Application ComplexityEase of Use: Not Available Website: www.afolucarbon.org Cost: Free Language: English USAID Carbon Calculator Screenshot Logo: USAID Carbon Calculator This...
Calculation of chemical equilibrium between aqueous solution...
Office of Scientific and Technical Information (OSTI)
Calculation of chemical equilibrium between aqueous solution and minerals: the EQ36 ... Citation Details In-Document Search Title: Calculation of chemical equilibrium between ...
NERSC Calculations Provide Independent Confirmation of Global...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Calculations Provide Independent Confirmation of Global Land Warming Since 1901 NERSC Calculations Provide Independent Confirmation of Global Land Warming Since 1901 September 9, ...
China 2050 Pathways Calculator | Open Energy Information
2050 Pathways Calculator Jump to: navigation, search Tool Summary LAUNCH TOOL Name: China 2050 Pathways Calculator AgencyCompany Organization: China's Energy Research Institute...
California Biomass Collaborative Energy Cost Calculators | Open...
Biomass Collaborative Energy Cost Calculators Jump to: navigation, search Tool Summary LAUNCH TOOL Name: California Biomass Collaborative Energy Cost Calculators AgencyCompany...
Interruption Cost Estimate Calculator | Open Energy Information
Cost Estimate (ICE) Calculator This calculator is a tool designed for electric reliability planners at utilities, government organizations or other entities that are...
Campus Carbon Calculator | Open Energy Information
Campus Carbon Calculator Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Campus Carbon Calculator AgencyCompany Organization: Clean Air-Cool Planet Phase: Create a...
Incorporating Weather Data into Energy Savings Calculations ...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Weather Data into Energy Savings Calculations Incorporating Weather Data into Energy Savings Calculations Better Buildings Residential Network Peer Exchange Call Series: ...
Calculate and Plot Complex Potential
Energy Science and Technology Software Center (OSTI)
1998-05-05
SOLUPLOT is a program designed to calculate and plot complex potential, pH diagrams and log oxygen activity, pH diagrams for aqueous chemical syatems, considering speciation of ligands, from free energy and thermodynamic activity data. These diagrams, commonly referred to as Eh-pH and ao2-pH diagrams, respectively, define areas of predominance in Eh-pH diagrams or ao2-pH space for chemical species of a chemical system at equilibrium. Over an area of predominance, one predominant species is at greatermoreÂ Â» activity than the other species of the system considered. The diagram axes, pH (a measure of hydrogen ion activity) and either Eh or log ao2 (measures of a tendency toward either oxidation or reduction) , are paremeters commonly applied in describing the chemistry of aqueous systems.Â«Â less
RTU Comparison Calculator Enhancement Plan
Miller, James D.; Wang, Weimin; Katipamula, Srinivas
2015-07-01
Over the past two years, Department of Energyâ€™s Building Technologies Office (BTO) has been investigating ways to increase the operating efficiency of the packaged rooftop units (RTUs) in the field. First, by issuing a challenge to the RTU manufactures to increase the integrated energy efficiency ratio (IEER) by 60% over the existing ASHRAE 90.1-2010 standard. Second, by evaluating the performance of an advanced RTU controller that reduces the energy consumption by over 40%. BTO has previously also funded development of a RTU comparison calculator (RTUCC). RTUCC is a web-based tool that provides the user a way to compare energy and cost savings for two units with different efficiencies. However, the RTUCC currently cannot compare savings associated with either the RTU Challenge unit or the advanced RTU controls retrofit. Therefore, BTO has asked PNNL to enhance the tool so building owners can compare energy and savings associated with this new class of products. This document provides the details of the enhancements that are required to support estimating energy savings from use of RTU challenge units or advanced controls on existing RTUs.
RTU Comparison Calculator Enhancement Plan
Miller, James D.; Wang, Weimin; Katipamula, Srinivas
2014-03-31
Over the past two years, Department of Energy’s Building Technologies Office (BTO) has been investigating ways to increase the operating efficiency of the packaged rooftop units (RTUs) in the field. First, by issuing a challenge to the RTU manufactures to increase the integrated energy efficiency ratio (IEER) by 60% over the existing ASHRAE 90.1-2010 standard. Second, by evaluating the performance of an advanced RTU controller that reduces the energy consumption by over 40%. BTO has previously also funded development of a RTU comparison calculator (RTUCC). RTUCC is a web-based tool that provides the user a way to compare energy and cost savings for two units with different efficiencies. However, the RTUCC currently cannot compare savings associated with either the RTU Challenge unit or the advanced RTU controls retrofit. Therefore, BTO has asked PNNL to enhance the tool so building owners can compare energy and savings associated with this new class of products. This document provides the details of the enhancements that are required to support estimating energy savings from use of RTU challenge units or advanced controls on existing RTUs.
Building Technologies Office: 179D DOE Calculator
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
179D DOE Calculator EERE Building Technologies Office 179D DOE Calculator Printable Version Bookmark and Share What is the 179D federal tax deduction? Section 179D of the...
Relativistic Thomson Scatter from Factor Calculation
Energy Science and Technology Software Center (OSTI)
2009-11-01
The purpose of this program is calculate the fully relativistic Thomson scatter from factor in unmagnetized plasmas. Such calculations are compared to experimental diagnoses of plasmas at such facilities as the Jupiter laser facility here a LLNL.
Photovoltaics Economic Calculator (United States) | Open Energy...
(United States) Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Photovoltaics Economic Calculator (United States) Focus Area: Solar Topics: System & Application...
Urban Transportation Emission Calculator | Open Energy Information
Calculator (UTEC) is a user-friendly tool for estimating annual emissions from personal, commercial, and public transit vehicles. It estimates greenhouse gas (GHG) and...
Calculating Atomic Number Densities for Uranium
Energy Science and Technology Software Center (OSTI)
1993-01-01
Provides method to calculate atomic number densities of selected uranium compounds and hydrogenous moderators for use in nuclear criticality safety analyses at gaseous diffusion uranium enrichment facilities.
CUFR Tree Carbon Calculator | Open Energy Information
Desktop Application Website: www.fs.fed.usccrctopicsurban-forestsctcc Cost: Free Language: English References: CUFR Tree Carbon Calculator1 Overview "The CUFR Tree Carbon...
Distributed Energy Calculator | Open Energy Information
ibutedenergycalculator.com OpenEI Keyword(s): Challenge Generated, Green Button Apps Language: English References: Apps for Energy1 The Distributed Energy Calculator allows you...
Evaluation Of Chemical Geothermometers For Calculating Reservoir...
Geothermometers For Calculating Reservoir Temperatures At Nevada Geothermal Power Plants Jump to: navigation, search OpenEI Reference LibraryAdd to library Conference Paper:...
Incorporating Weather Data into Energy Savings Calculations
Broader source: Energy.gov [DOE]
Better Buildings Residential Network Peer Exchange Call Series: Incorporating Weather Data into Energy Savings Calculations, Call Slides and Discussion Summary, February 26, 2015.
Cool Roof Calculator | Open Energy Information
TOOL Name: Cool Roof Calculator AgencyCompany Organization: Oak Ridge National Laboratory Sector: Energy Focus Area: Buildings, Energy Efficiency Resource Type: Online...
Calculating and Communicating Program Results | Department of...
Broader source: Energy.gov (indexed) [DOE]
Data and Evaluation Peer Exchange Call: Calculating and Communicating Program Results, Call Slides and Summary, February 23, 2012. Call Slides and Summary More Documents &...
Energy Science and Technology Software Center (OSTI)
2002-08-19
Utitlity tariffs vary significantly from utility to utility. Each utility has its own rates and sets of rules by which bills are calculated. The Bill Calculator reconstructs the tariff based on these rules, stored in data tables, and access the appropriate charges for a given energy consumption and demand. The software reconstructs the tariff logic from the rules stored in data tables. Changes are tallied as the logic is reconstructed. This is essentially an accountingmoreÂ Â» program. The main limitation is on the time to search for each tariff element. It is currently on O(N) search. Also, since the Bill calculator first stores all tariffs in an array and then reads the array to reconstruct a specific tariff, the memory limitatins of a particular system would limit the number of tariffs that could be handled. This tool allows a user to calculate a bill from any sampled utility without prior knowledge of the tariff logic or structure. The peculiarities of the tariff logic are stored in data tables and manged by the Bill Calculator software. This version of the software is implemented as a VB module that operates within Microsoft Excel. Input data tables are stored in Excel worksheets. In this version the Bill Calculator functions can be assessed through Excel as user defined worksheet functions. Bill Calculator can calculate approximately 50,000 bills in less than 30 minutes.Â«Â less
PVWatts (R) Calculator India (Fact Sheet)
Not Available
2014-01-01
The PVWatts (R) Calculator for India was released by the National Renewable Energy Laboratory in 2013. The online tool estimates electricity production and the monetary value of that production of grid-connected roof- or ground-mounted crystalline silicon photovoltaics systems based on a few simple inputs. This factsheet provides a broad overview of the PVWatts (R) Calculator for India.
Unimolecular decomposition of methyltrichlorosilane: RRKM calculations
Osterheld, T.H.; Allendorf, M.D.; Melius, C.F.
1993-06-01
Based on reaction thermochemistry and estimates of Arrhenius A-factors, it is expected that Si-C bond cleavage, C-H bond cleavage, and HCl elimination will be the primary channels for the unimolecular decomposition of methyltrichlorosilane. Using RRKM theory, we calculated rate constants for these three reactions. The calculations support the conclusion that these three reactions are the major decomposition pathways. Rate constants for each reaction were calculated in the high-pressure limit (800--1500 K) and in the falloff regime (1300--1500 K) for bath gases of both helium and hydrogen. These calculations thus provide branching fractions as well as decomposition rates. We also calculated bimolecular rate constants for the overall decomposition in the low-pressure limit. Interesting and surprising kinetic behavior of this system and the individual reactions is discussed. The reactivity of this chlorinated organosilane is compared to that of other organosilanes.
Historical river flow rates for dose calculations
Carlton, W.H.
1991-06-10
Annual average river flow rates are required input to the LADTAP Computer Code for calculating offsite doses from liquid releases of radioactive materials to the Savannah River. The source of information on annual river flow rates used in dose calculations varies, depending on whether calculations are for retrospective releases or prospective releases. Examples of these types of releases are: Retrospective - releases from routine operations (annual environmental reports) and short term release incidents that have occurred. Prospective - releases that might be expected in the future from routine or abnormal operation of existing or new facilities (EIS`s, EID`S, SAR`S, etc.). This memorandum provides historical flow rates at the downstream gauging station at Highway 301 for use in retrospective dose calculations and derives flow rate data for the Beaufort-Jasper and Port Wentworth water treatment plants.
First principle thousand atom quantum dot calculations
Wang, Lin-Wang; Li, Jingbo
2004-03-30
A charge patching method and an idealized surface passivation are used to calculate the single electronic states of IV-IV, III-V, II-VI semiconductor quantum dots up to a thousand atoms. This approach scales linearly and has a 1000 fold speed-up compared to direct first principle methods with a cost of eigen energy error of about 20 meV. The calculated quantum dot band gaps are parametrized for future references.
Dipping of terms in atomic calculations
Zelichenko, V.M.; Samsonov, B.F.; Nyavro, A.V.
1983-11-01
The paper discusses the orthogonality conditions for calculations in the single-configuration approximation of the autoionization states 1s2s/sup 2/ and 2s/sup 2/ in Li and He/sup -/ and He and He/sup -/, respectively. The necessity is demonstrated of considering the conditions of orthogonality of the complete wave functions of these configurations to the wave functions of the corresponding continuous spectrum in the calculation of energy by means of the variational method.
Radiological Dose Calculations for Fusion Facilities
Michael L. Abbott; Lee C. Cadwallader; David A. Petti
2003-04-01
This report summarizes the results and rationale for radiological dose calculations for the maximally exposed individual during fusion accident conditions. Early doses per unit activity (Sieverts per TeraBecquerel) are given for 535 magnetic fusion isotopes of interest for several release scenarios. These data can be used for accident assessment calculations to determine if the accident consequences exceed Nuclear Regulatory Commission and Department of Energy evaluation guides. A generalized yearly dose estimate for routine releases, based on 1 Terabecquerel unit releases per radionuclide, has also been performed using averaged site parameters and assumed populations. These routine release data are useful for assessing designs against US Environmental Protection Agency yearly release limits.
MEAM interatomic force calculation subroutine for LAMMPS
Energy Science and Technology Software Center (OSTI)
2010-10-25
Interatomic force and energy calculation subroutine tobe used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluates the total energy and atomic forces (energy gradient) according to cubic spine-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM).
Calculated fission properties of the heaviest elements
Moeller, P.; Nix, J.R.; Swiatecki, W.J.
1986-09-01
A quantitative calculation is presented that shows where high-kinetic-energy symmetric fission occurs and why it is associated with a sudden and large decrease in fission half-lives. The study is based on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. For the macroscopic part a Yukawa-plus-exponential model is used and for the microscopic part a folded-Yukawa single-particle potential is used. The three-quadratic-surface parameterization generates shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. The results of the calculations in terms of potential-energy surfaces and fission half-lives are presented for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. 53 refs., 15 figs., 1 tab.
Calculation of Kinetics Parameters for the NBSR
Hanson A. L.; Diamond D.
2012-03-06
The delayed neutron fraction and prompt neutron lifetime have been calculated at different times in the fuel cycle for the NBSR when fueled with both high-enriched uranium (HEU) and low-enriched uranium (LEU) fuel. The best-estimate values for both the delayed neutron fraction and the prompt neutron lifetime are the result of calculations using MCNP5-1.60 with the most recent ENDFB-VII evaluations. The best-estimate values for the total delayed neutron fraction from fission products are 0.00665 and 0.00661 for the HEU fueled core at startup and end-of-cycle, respectively. For the LEU fuel the best estimate values are 0.00650 and 0.00648 at startup and end-of-cycle, respectively. The present recommendations for the delayed neutron fractions from fission products are smaller than the value reported previously of 0.00726 for the HEU fuel. The best-estimate values for the contribution from photoneutrons will remain as 0.000316, independent of the fuel or time in the cycle.The values of the prompt neutron lifetime as calculated with MCNP5-1.60 are compared to values calculated with two other independent methods and the results are in reasonable agreement with each other. The recommended, conservative values of the neutron lifetime for the HEU fuel are 650 {micro}s and 750 {micro}s for the startup and end-of-cycle conditions, respectively. For LEU fuel the recommended, conservative values are 600 {micro}s and 700 {micro}s for the startup and end-of-cycle conditions, respectively. In all three calculations, the prompt neutron lifetime was determined to be longer for the end-of-cycle equilibrium condition when compared to the startup condition. The results of the three analyses were in agreement that the LEU fuel will exhibit a shorter prompt neutron lifetime when compared to the HEU fuel.
CANISTER HANDLING FACILITY CRITICALITY SAFETY CALCULATIONS
C.E. Sanders
2005-04-07
This design calculation revises and updates the previous criticality evaluation for the canister handling, transfer and staging operations to be performed in the Canister Handling Facility (CHF) documented in BSC [Bechtel SAIC Company] 2004 [DIRS 167614]. The purpose of the calculation is to demonstrate that the handling operations of canisters performed in the CHF meet the nuclear criticality safety design criteria specified in the ''Project Design Criteria (PDC) Document'' (BSC 2004 [DIRS 171599], Section 4.9.2.2), the nuclear facility safety requirement in ''Project Requirements Document'' (Canori and Leitner 2003 [DIRS 166275], p. 4-206), the functional/operational nuclear safety requirement in the ''Project Functional and Operational Requirements'' document (Curry 2004 [DIRS 170557], p. 75), and the functional nuclear criticality safety requirements described in the ''Canister Handling Facility Description Document'' (BSC 2004 [DIRS 168992], Sections 3.1.1.3.4.13 and 3.2.3). Specific scope of work contained in this activity consists of updating the Category 1 and 2 event sequence evaluations as identified in the ''Categorization of Event Sequences for License Application'' (BSC 2004 [DIRS 167268], Section 7). The CHF is limited in throughput capacity to handling sealed U.S. Department of Energy (DOE) spent nuclear fuel (SNF) and high-level radioactive waste (HLW) canisters, defense high-level radioactive waste (DHLW), naval canisters, multicanister overpacks (MCOs), vertical dual-purpose canisters (DPCs), and multipurpose canisters (MPCs) (if and when they become available) (BSC 2004 [DIRS 168992], p. 1-1). It should be noted that the design and safety analyses of the naval canisters are the responsibility of the U.S. Department of the Navy (Naval Nuclear Propulsion Program) and will not be included in this document. In addition, this calculation is valid for the current design of the CHF and may not reflect the ongoing design evolution of the facility. However, it is anticipated that design changes to the facility layout will have little or no impact on the criticality results and/or conclusions presented in this document. This calculation is subject to the ''Quality Assurance Requirements and Description'' (DOE 2004 [DIRS 171539]) because the CHF is included in the Q-List (BSC 2005 [DIRS 171190], p. A-3) as an item important to safety. This calculation is prepared in accordance with AP-3.12Q, ''Design Calculations and Analyses'' [DIRS 168413].
A Methodology for Calculating Radiation Signatures
Klasky, Marc Louis; Wilcox, Trevor; Bathke, Charles G.; James, Michael R.
2015-05-01
A rigorous formalism is presented for calculating radiation signatures from both Special Nuclear Material (SNM) as well as radiological sources. The use of MCNP6 in conjunction with CINDER/ORIGEN is described to allow for the determination of both neutron and photon leakages from objects of interest. In addition, a description of the use of MCNP6 to properly model the background neutron and photon sources is also presented. Examinations of the physics issues encountered in the modeling are investigated so as to allow for guidance in the user discerning the relevant physics to incorporate into general radiation signature calculations. Furthermore, examples are provided to assist in delineating the pertinent physics that must be accounted for. Finally, examples of detector modeling utilizing MCNP are provided along with a discussion on the generation of Receiver Operating Curves, which are the suggested means by which to determine detectability radiation signatures emanating from objects.
Permeability Calculation in a Fracture Network - 12197
Lee, Cheo Kyung; Kim, Hyo Won [Handong Global University, 3 Namsong-ri, Heunghae-eub, Buk-gu, Pohang, Kyungbuk, 791-708 (Korea, Republic of); Yim, Sung Paal [Korea Atomic Energy Research Institute, Yusong, Daejon, 305-600 (Korea, Republic of)
2012-07-01
Laminar flow of a viscous fluid in the pore space of a saturated fractured rock medium is considered to calculate the effective permeability of the medium. The effective permeability is determined from the flow field which is calculated numerically by using the finite element method. The computation of permeability components is carried out with a few different discretizations for a number of fracture arrangements. Various features such as flow field in the fracture channels, the convergence of permeability, and the variation of permeability among different fracture networks are discussed. The longitudinal permeability in general appears greater than the transverse ones. The former shows minor variations with fracture arrangement whereas the latter appears to be more sensitive to the arrangement. From the calculations of the permeability in a rock medium with a fracture network (two parallel fractures aligned in the direction of 45-deg counterclockwise from the horizontal and two connecting fractures(narrowing, parallel and widening) the following conclusions are drawn. 1. The permeability of fractured medium not only depends on the primary orientation of the main fractures but also is noticeably influenced by the connecting fractures in the medium. 2. The transverse permeability (the permeability in the direction normal to the direction of the externally imposed macro-scale pressure gradient) is only a fraction of the longitudinal one, but is sensitive to the arrangement of the connecting fractures. 3. It is important to figure out the pattern of the fractures that connect (or cross) the main fractures for reliable calculation of the transverse permeability. (authors)
Minimum Day Time Load Calculation and Screening
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Minimum Day Time Load Calculation and Screening" Dora Nakafuji and Anthony Hong, Hawaiian Electric Co. Babak Enayati, DG Techincal Standards Review Group April 30, 2014 2 Speakers Babak Enayati Chair of Massachusetts DG Technical Standards Review Group Dora Nakafuji Director of Renewable Energy Planning Hawaiian Electric Company (HECO) Kristen Ardani Solar Analyst, (today's moderator) NREL Anthony Hong Director of Distribution Planning Hawaiian Electric Company (HECO) Standardization of
Historical development of building energy calculations
Ayres, J.M.; Stamper, E.
1995-08-01
One of the most significant events in the history of ASHRAE has been its ability to respond to the societal need to reduce energy use in buildings. The development of computer technology and the scare of an Arab oil embargo in the early 1970s stimulated rapid improvements in calculation procedures to predict the thermal performance and energy requirements of buildings. Renewed interest in solar energy applications during that period attracted new scientific talent into ASHRAE, but it was primarily the use of computers for peak-load and energy calculations that attracted the brightest and most talented young engineers into the Society. It is important to note that almost all of the fundamental developments in energy calculation procedures resulted from governmental support. On a national level, it was funding from the U.S. Post Office Department (POD), the US Department of Energy (DOE)--formerly the Energy Research and Development Administration (ERDA), and the US Department of Defense (DOD) that resulted in the two major public domain programs--DOE-2 (LBL 1979) and BLAST (Hittle 1977). This support has been continuous since 1973 and, as discussed later, it evolved from two competing load calculation methodologies. All of the DOD funds were focused at the US Army Construction Engineering Research Laboratory (CERL), while DOE funds were distributed among various governmental laboratories that competed each year for funding from Washington, DC. This led to a curious history in the development of DOE-2, in which several national laboratories made important technical contributions in the early years. These laboratories were Argon National Laboratory (ANL), Los Alamos Scientific Laboratory (LASL), and Lawrence Berkeley Laboratory (LBL). The DOE funding diminished quickly over time at ANL and somewhat later at LASL. LBL rapidly became the lead laboratory for the addition of new developments and maintenance of DOE-2.
Radiative accelerations for evolutionary model calculations
Richer, J.; Michaud, G.; Rogers, F.; Iglesias, C.; Turcotte, S.; LeBlanc, F.
1998-01-01
Monochromatic opacities from the OPAL database have been used to calculate radiative accelerations for the 21 included chemical species. The 10{sup 4} frequencies used are sufficient to calculate the radiative accelerations of many elements for T{gt}10{sup 5}K, using frequency sampling. This temperature limit is higher for less abundant elements. As the abundances of Fe, He, or O are varied, the radiative acceleration of other elements changes, since abundant elements modify the frequency dependence of the radiative flux and the Rosseland opacity. Accurate radiative accelerations for a given element can only be obtained by allowing the abundances of the species that contribute most to the Rosseland opacity to vary during the evolution and recalculating the radiative accelerations and the Rosseland opacity during the evolution. There are physical phenomena that cannot be included in the calculations if one uses only the OPAL data. For instance, one should correct for the momentum given to the electron in a photoionization. Such effects are evaluated using atomic data from Opacity Project, and correction factors are given. {copyright} {ital 1998} {ital The American Astronomical Society}
Hybrid reduced order modeling for assembly calculations
Bang, Y.; Abdel-Khalik, H. S.; Jessee, M. A.; Mertyurek, U.
2013-07-01
While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system. (authors)
Code for Calculating Regional Seismic Travel Time
Energy Science and Technology Software Center (OSTI)
2009-07-10
The RSTT software computes predictions of the travel time of seismic energy traveling from a source to a receiver through 2.5D models of the seismic velocity distribution within the Earth. The two primary applications for the RSTT library are tomographic inversion studies and seismic event location calculations. In tomographic inversions studies, a seismologist begins with number of source-receiver travel time observations and an initial starting model of the velocity distribution within the Earth. A forwardmoreÂ Â» travel time calculator, such as the RSTT library, is used to compute predictions of each observed travel time and all of the residuals (observed minus predicted travel time) are calculated. The Earth model is then modified in some systematic way with the goal of minimizing the residuals. The Earth model obtained in this way is assumed to be a better model than the starting model if it has lower residuals. The other major application for the RSTT library is seismic event location. Given an Earth model, an initial estimate of the location of a seismic event, and some number of observations of seismic travel time thought to have originated from that event, location codes systematically modify the estimate of the location of the event with the goal of minimizing the difference between the observed and predicted travel times. The second application, seismic event location, is routinely implemented by the military as part of its effort to monitor the Earth for nuclear tests conducted by foreign countries.Â«Â less
Agriculture-related radiation dose calculations
Furr, J.M.; Mayberry, J.J.; Waite, D.A.
1987-10-01
Estimates of radiation dose to the public must be made at each stage in the identification and qualification process leading to siting a high-level nuclear waste repository. Specifically considering the ingestion pathway, this paper examines questions of reliability and adequacy of dose calculations in relation to five stages of data availability (geologic province, region, area, location, and mass balance) and three methods of calculation (population, population/food production, and food production driven). Calculations were done using the model PABLM with data for the Permian and Palo Duro Basins and the Deaf Smith County area. Extra effort expended in gathering agricultural data at succeeding environmental characterization levels does not appear justified, since dose estimates do not differ greatly; that effort would be better spent determining usage of food types that contribute most to the total dose; and that consumption rate and the air dispersion factor are critical to assessment of radiation dose via the ingestion pathway. 17 refs., 9 figs., 32 tabs.
Molecular resonance phenomena. [Calculation of resonance widths
Hazi, A.U.
1980-01-01
It is attempted to show that the Stieltjes-moment-theory provides a practical and a reasonably accurate method for calculating the widths of molecular resonances. The method seems to possess a number of advantages for molecular applications, since it avoids the explicit construction of continuum wavefunctions. It is very simple to implement the technique numerically, because it requires only existing bound-state electronic structure codes. Through the use of configuration interaction techniques, many-electron correlation and polarization effects can be included in the description of both the resonance and the non-resonant background continuum. To illustrate the utility and the accuracy of the Stieltjes-moment-theory technique, used in conjunction with configuration interaction (CI) wave functions, recent applications to the /sup 1/..sigma../sub u/(1sigma/sub u/ 2sigma/sub g/) autoionizing resonance state of H/sub 2/ and the well known /sup 2/PI/sub g/ state of N/sub 2//sup -/ are discussed. The choices of the one-electron basis sets and the types of many-electron configurations appropriate for these two cases are described. Also, guidelines for the selection of the projection operators defining the resonant and non-resonant subspaces in the case of both Feshbach and shape-resonances are given. The numerical results indicate that the Stieltjes-moment-theory technique, which employs L/sup 2/ basis functions exclusively, produces as accurate resonance parameters as can be extracted from direct electron-molecule scattering calculations, provided approximately the same approximations are used to describe important physical effects such as target polarization. Furthermore the method provides sufficiently accurate fixed-nuclei electronic resonance parameters to be used in ab initio calculation of resonant vibrational excitation cross sections. (WHK)
Linear Transformation Method for Multinuclide Decay Calculation
Ding Yuan
2010-12-29
A linear transformation method for generic multinuclide decay calculations is presented together with its properties and implications. The method takes advantage of the linear form of the decay solution N(t) = F(t)N{sub 0}, where N(t) is a column vector that represents the numbers of atoms of the radioactive nuclides in the decay chain, N{sub 0} is the initial value vector of N(t), and F(t) is a lower triangular matrix whose time-dependent elements are independent of the initial values of the system.
Rooftop Unit Comparison Calculator User Manual
Miller, James D.
2015-04-30
This document serves as a user manual for the Packaged rooftop air conditioners and heat pump units comparison calculator (RTUCC) and is an aggregation of the calculatorâ€™s website documentation. Content ranges from new-user guide material like the â€œQuick Startâ€ to the more technical/algorithmic descriptions of the â€œMethods Pages.â€ There is also a section listing all the context-help topics that support the features on the â€œControlsâ€ page. The appendix has a discussion of the EnergyPlus runs that supported the development of the building-response models.
Lattice calculation of nonleptonic charm decays
Simone, J.N.
1991-11-01
The decays of charmed mesons into two body nonleptonic final states are investigated. Weak interaction amplitudes of interest in these decays are extracted from lattice four-point correlation functions using a effective weak Hamiltonian including effects to order G{sub f} in the weak interactions yet containing effects to all orders in the strong interactions. The lattice calculation allows a quantitative examination of non-spectator processes in charm decays helping to elucidate the role of effects such as color coherence, final state interactions and the importance of the so called weak annihilation process. For D {yields} K{pi}, we find that the non-spectator weak annihilation diagram is not small, and we interpret this as evidence for large final state interactions. Moreover, there is indications of a resonance in the isospin {1/2} channel to which the weak annihilation process contributes exclusively. Findings from the lattice calculation are compared to results from the continuum vacuum saturation approximation and amplitudes are examined within the framework of the 1/N expansion. Factorization and the vacuum saturation approximation are tested for lattice amplitudes by comparing amplitudes extracted from lattice four-point functions with the same amplitude extracted from products of two-point and three-point lattice correlation functions arising out of factorization and vacuum saturation.
Sensitivity analysis of coupled criticality calculations
Perko, Z.; Kloosterman, J. L.; Lathouwers, D.
2012-07-01
Perturbation theory based sensitivity analysis is a vital part of todays' nuclear reactor design. This paper presents an extension of standard techniques to examine coupled criticality problems with mutual feedback between neutronics and an augmenting system (for example thermal-hydraulics). The proposed procedure uses a neutronic and an augmenting adjoint function to efficiently calculate the first order change in responses of interest due to variations of the parameters describing the coupled problem. The effect of the perturbations is considered in two different ways in our study: either a change is allowed in the power level while maintaining criticality (power perturbation) or a change is allowed in the eigenvalue while the power is constrained (eigenvalue perturbation). The calculated response can be the change in the power level, the reactivity worth of the perturbation, or the change in any functional of the flux, the augmenting dependent variables and the input parameters. To obtain power- and criticality-constrained sensitivities power- and k-reset procedures can be applied yielding identical results. Both the theoretical background and an application to a one dimensional slab problem are presented, along with an iterative procedure to compute the necessary adjoint functions using the neutronics and the augmenting codes separately, thus eliminating the need of developing new programs to solve the coupled adjoint problem. (authors)
Equation of State from Lattice QCD Calculations (Conference)...
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Conference: Equation of State from Lattice QCD Calculations Citation Details In-Document Search Title: Equation of State from Lattice QCD Calculations You are accessing a...
Calculating impacts of energy standards on energy demand in U...
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Calculating impacts of energy standards on energy demand in U.S. buildings with uncertainty in an integrated assessment model Citation Details In-Document Search Title: Calculating ...
Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei...
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Technical Report: Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei Citation Details In-Document Search Title: Ab Initio Calculations Of Nuclear Reactions And Exotic ...
Non-equilibrium chemical partitioning calculation for phase transforma...
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and time dependent phase selection. The calculation programs were developed in C++ and fortran. In this program, we will integrate the existing calculation programs. Research area:...
Energy and Cost Savings Calculators for Energy-Efficient Products...
Energy and Cost Savings Calculators for Energy-Efficient Products Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Energy and Cost Savings Calculators for...
Building America Webinar: HVAC Right-Sizing Part 1-Calculating...
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the key criteria required to create accurate heating and cooling load calculations. ... HVAC Right-Sizing Part 1: Calculating Loads ZERH Webinar: Low Load HVAC in Zero Energy ...
Toward Catalyst Design from Theoretical Calculations (464th Brookhaven...
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Toward Catalyst Design from Theoretical Calculations (464th Brookhaven Lecture) Citation Details In-Document Search Title: Toward Catalyst Design from Theoretical Calculations...
Calculation of nuclear reaction cross sections on excited nuclei...
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Calculation of nuclear reaction cross sections on excited nuclei with the coupled-channels method Citation Details In-Document Search Title: Calculation of nuclear reaction cross ...
Energy Star Building Upgrade Value Calculator | Open Energy Informatio...
Upgrade Value Calculator Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Energy Star Building Upgrade Value Calculator (for Office Properties) AgencyCompany...
EPA Rainfall Erosivity Factor Calculator Website | Open Energy...
Calculator Website Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: EPA Rainfall Erosivity Factor Calculator Website Abstract This website allows...
Divya Energy Solar Panel Savings Calculator | Open Energy Information
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Fragment Yields Calculated in a Time-Dependent Microscopic Theory...
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Fragment Yields Calculated in a Time-Dependent Microscopic Theory of Fission Citation Details In-Document Search Title: Fragment Yields Calculated in a Time-Dependent Microscopic ...
Natural Gas Vehicle Cost Calculator | Open Energy Information
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Water-saving Measures: Energy and Cost Savings Calculator | Open...
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New Arsenic Cross Section Calculations (Technical Report) | SciTech...
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New Arsenic Cross Section Calculations Citation Details In-Document Search Title: New Arsenic Cross Section Calculations You are accessing a document from the Department of ...
FUEL HANDLING FACILITY CRITICALITY SAFETY CALCULATIONS
C.E. Sanders
2005-06-30
The purpose of this design calculation is to perform a criticality evaluation of the Fuel Handling Facility (FHF) and the operations and processes performed therein. The current intent of the FHF is to receive transportation casks whose contents will be unloaded and transferred to waste packages (WP) or MGR Specific Casks (MSC) in the fuel transfer bays. Further, the WPs will also be prepared in the FHF for transfer to the sub-surface facility (for disposal). The MSCs will be transferred to the Aging Facility for storage. The criticality evaluation of the FHF features the following: (I) Consider the types of waste to be received in the FHF as specified below: (1) Uncanistered commercial spent nuclear fuel (CSNF); (2) Canistered CSNF (with the exception of horizontal dual-purpose canister (DPC) and/or multi-purpose canisters (MPCs)); (3) Navy canistered SNF (long and short); (4) Department of Energy (DOE) canistered high-level waste (HLW); and (5) DOE canistered SNF (with the exception of MCOs). (II) Evaluate the criticality analyses previously performed for the existing Nuclear Regulatory Commission (NRC)-certified transportation casks (under 10 CFR 71) to be received in the FHF to ensure that these analyses address all FHF conditions including normal operations, and Category 1 and 2 event sequences. (III) Evaluate FHF criticality conditions resulting from various Category 1 and 2 event sequences. Note that there are currently no Category 1 and 2 event sequences identified for FHF. Consequently, potential hazards from a criticality point of view will be considered as identified in the ''Internal Hazards Analysis for License Application'' document (BSC 2004c, Section 6.6.4). (IV) Assess effects of potential moderator intrusion into the fuel transfer bay for defense in depth. The SNF/HLW waste transfer activity (i.e., assembly and canister transfer) that is being carried out in the FHF has been classified as safety category in the ''Q-list'' (BSC 2003, p. A-6). Therefore, this design calculation is subject to the requirements of the ''Quality Assurance Requirements and Description'' (DOE 2004), even though the FHF itself has not yet been classified in the Q-list. Performance of the work scope as described and development of the associated technical product conform to the procedure AP-3.124, ''Design Calculations and Analyses''.
A primer for criticality calculations with DANTSYS
Busch, R.D.
1997-08-01
With the closure of many experimental facilities, the nuclear safety analyst has to rely on computer calculations to identify safe limits for the handling and storage of fissile materials. Although deterministic methods often do not provide exact models of a system, a substantial amount of reliable information on nuclear systems can be obtained using these methods if the user understands their limitations. To guide criticality specialists in this area, the Nuclear Criticality Safety Group at the University of New Mexico (UNM) in cooperation with the Radiation Transport Group at Los Alamos National Laboratory (LANL) has designed a primer to help the analyst understand and use the DANTSYS deterministic transport code for nuclear criticality safety analyses. DANTSYS is the new name of the group of codes formerly known as: ONEDANT, TWODANT, TWOHEX, TWOGQ, and THREEDANT. The primer is designed to teach bu example, with each example illustrating two or three DANTSYS features useful in criticality analyses. Starting with a Quickstart chapter, the primer gives an overview of the basic requirements for DANTSYS input and allows the user to quickly run a simple criticality problem with DANTSYS. Each chapter has a list of basic objectives at the beginning identifying the goal of the chapter and the individual DANTSYS features covered in detail in the chapter example problems. On completion of the primer, it is expected that the user will be comfortable doing criticality calculations with DANTSYS and can handle 60--80% of the situations that normally arise in a facility. The primary provides a set of input files that can be selective modified by the user to fit each particular problem.
Webtrends Archives by Fiscal Year - Calculators | Department of Energy
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Calculators Webtrends Archives by Fiscal Year - Calculators From the EERE Web Statistics Archive: Corporate sites, Webtrends archive for the Calculators site for fiscal year 2011. Microsoft Office document icon Calculators FY11 More Documents & Publications Webtrends Archives by Fiscal Year - Office of EERE Webtrends Archives by Fiscal Year - Information Center Webtrends Archives by Fiscal Year - Kids Site
Subject: Calculation of Job Creating Through Recovery Act Funding |
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Department of Energy Subject: Calculation of Job Creating Through Recovery Act Funding Subject: Calculation of Job Creating Through Recovery Act Funding PDF icon Subject: Calculation of Job Creating Through Recovery Act Funding More Documents & Publications WPN 10-14a: Calculation of Job Creation through DOE Recovery Act Funding - Updated Calculation of Job Creation Through DOE Recovery Act Funding WPN 10-14: Calculat
Handbook of Industrial Engineering Equations, Formulas, and Calculations
Badiru, Adedeji B; Omitaomu, Olufemi A
2011-01-01
The first handbook to focus exclusively on industrial engineering calculations with a correlation to applications, Handbook of Industrial Engineering Equations, Formulas, and Calculations contains a general collection of the mathematical equations often used in the practice of industrial engineering. Many books cover individual areas of engineering and some cover all areas, but none covers industrial engineering specifically, nor do they highlight topics such as project management, materials, and systems engineering from an integrated viewpoint. Written by acclaimed researchers and authors, this concise reference marries theory and practice, making it a versatile and flexible resource. Succinctly formatted for functionality, the book presents: Basic Math Calculations; Engineering Math Calculations; Production Engineering Calculations; Engineering Economics Calculations; Ergonomics Calculations; Facility Layout Calculations; Production Sequencing and Scheduling Calculations; Systems Engineering Calculations; Data Engineering Calculations; Project Engineering Calculations; and Simulation and Statistical Equations. It has been said that engineers make things while industrial engineers make things better. To make something better requires an understanding of its basic characteristics and the underlying equations and calculations that facilitate that understanding. To do this, however, you do not have to be computational experts; you just have to know where to get the computational resources that are needed. This book elucidates the underlying equations that facilitate the understanding required to improve design processes, continuously improving the answer to the age-old question: What is the best way to do a job?
XOP : a graphical user interface for spectral calculations and...
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spectral calculations and x-ray optics utilities. Citation Details In-Document Search Title: XOP : a graphical user interface for spectral calculations and x-ray optics utilities. ...
First-principles calculations of phonons and Raman spectra in...
Office of Scientific and Technical Information (OSTI)
First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Title: First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Authors: ...
Supporting Calculations For Submerged Bed Scrubber Condensate Disposal Preconceptual Study
Pajunen, A. J.; Tedeschi, A. R.
2012-09-18
This document provides supporting calculations for the preparation of the Submerged Bed Scrubber Condensate Disposal Preconceptual Study report The supporting calculations include equipment sizing, Hazard Category determination, and LAW Melter Decontamination Factor Adjustments.
Ice - an explicit wavelet calculation code for ICE experiments...
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Language: English Subject: 97 MATHEMATICS AND COMPUTING; 99 GENERAL AND MISCELLANEOUSMATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; COMPUTER CALCULATIONS; SHOCK WAVES; ...
Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and
Methodology Assumptions and Methodology to someone by E-mail Share Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and Methodology on Facebook Tweet about Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and Methodology on Twitter Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and Methodology on Google Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and Methodology on Delicious Rank Alternative
Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions
and Methodology Widget Assumptions and Methodology to someone by E-mail Share Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions and Methodology on Facebook Tweet about Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions and Methodology on Twitter Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions and Methodology on Google Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions and
Measurement and Verification Plan and Savings Calculations Methods Outline
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
(IDIQ Attachment J-8) | Department of Energy Measurement and Verification Plan and Savings Calculations Methods Outline (IDIQ Attachment J-8) Measurement and Verification Plan and Savings Calculations Methods Outline (IDIQ Attachment J-8) Document outlines measurement and verification planning and savings calculation methods for an energy savings performance contract. Microsoft Office document icon Download the M&V Plan and Savings Calculations Methods Outline. More Documents &
Calculating and Communicating Program Results | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Calculating and Communicating Program Results Calculating and Communicating Program Results Better Buildings Neighborhood Program Data and Evaluation Peer Exchange Call: Calculating and Communicating Program Results, Call Slides and Summary, February 23, 2012. PDF icon Call Slides and Summary More Documents & Publications Evaluation Tools Utilized by the EnergySmart Program The Better Buildings Neighborhood View - October 2012 Business of Energy Efficiency Workshop presentation
Application of DYNA3D in large scale crashworthiness calculations
Benson, D.J.; Hallquist, J.O.; Igarashi, M.; Shimomaki, K.; Mizuno, M.
1986-01-01
This paper presents an example of an automobile crashworthiness calculation. Based on our experiences with the example calculation, we make recommendations to those interested in performing crashworthiness calculations. The example presented in this paper was supplied by Suzuki Motor Co., Ltd., and provided a significant shakedown for the new large deformation shell capability of the DYNA3D code. 15 refs., 3 figs.
First Principles Calculations and NMR Spectroscopy of Electrode Materials |
Broader source: Energy.gov (indexed) [DOE]
Department of Energy 7_grey.pdf More Documents & Publications First Principles Calculations and NMR Spectroscopy of Electrode Materials: NMR Vehicle Technologies Office Merit Review 2014: First Principles Calculations and NMR Spectroscopy of Electrode Materials First Principles Calculations and NMR Spectroscopy of Electrode Materials
CRC handbook of nuclear reactors calculations. Vol. III
Ronen, Y.
1986-01-01
This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume III: Control Rods and Burnable Absorber Calculations. Perturbation Theory for Nuclear Reactor Analysis. Thermal Reactors Calculations. Fast Reactor Calculations. Seed-Blanket Reactors. Index.
NERSC Calculations Provide Independent Confirmation of Global Land Warming
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Since 1901 Calculations Provide Independent Confirmation of Global Land Warming Since 1901 NERSC Calculations Provide Independent Confirmation of Global Land Warming Since 1901 September 9, 2013 Contact: Jon Bashor, jbashor@lbl.gov, 510-486-5849 campo.jpg These maps show the changes in air temperatures over land as measured using thermometers (left side) and as calculated by the 20th Century Reanalysis project (left side). While more than 80 percent of the observed variation is captured by
Energy and Cost Savings Calculators for Energy-Efficient Products |
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Department of Energy Efficient Products Â» Energy and Cost Savings Calculators for Energy-Efficient Products Energy and Cost Savings Calculators for Energy-Efficient Products Estimate energy and cost savings for energy- and water-efficient product categories using these interactive calculators provided by the Federal Energy Management Program or ENERGY STAR. Commercial Heating and Cooling Air-Cooled Chillers Boilers Commercial Heat Pumps Commercial Rooftop Air Conditioners Residential
Spin resonance strength calculation through single particle tracking for RHIC
Luo, Y.; Dutheil, Y.; Huang, H.; Meot, F.; Ranjbar, V.
2015-05-03
The strengths of spin resonances for the polarized-proton operation in the Relativistic Heavy Ion Collider are currently calculated with the code DEPOL, which numerically integrates through the ring based on an analytical approximate formula. In this article, we test a new way to calculate the spin resonance strengths by performing Fourier transformation to the actual transverse magnetic fields seen by a single particle traveling through the ring. Comparison of calculated spin resonance strengths is made between this method and DEPOL.
CALCULATION OF STOPPING POWER VALUES AND RANGES OF FAST IONS.
Energy Science and Technology Software Center (OSTI)
2003-03-18
STOPOW calculates a set of stopping power values and ranges of fast ions in matter for any materials. Furthermore STOPOW can calculate a set of values for one special auxiliary function (e.g. kinematic factors, track structure parameters, time of flight or correction factors in the stopping function) . The user chooses the physical units for stopping powers and ranges and the energy range for calculations.
Energy Cost Calculator for Urinals | Department of Energy
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Urinals Energy Cost Calculator for Urinals Vary water cost, frequency of operation, and /or efficiency level. INPUT SECTION This calculator assumes that early replacement of a urinal or toilet will take place with 10 years of life remaining for existing fixture. Input the following data (if any parameter is missing, calculator will set to default value). Defaults Water Saving Product Urinal Urinal Gallons per Flush gpf 1.0 gpf Quantity to be Purchased 1 Water Cost (including waste water charges)
Energy Cost Savings Calculator for Air-Cooled Electric Chillers |
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Department of Energy Air-Cooled Electric Chillers Energy Cost Savings Calculator for Air-Cooled Electric Chillers This cost calculator is a screening tool that estimates a product's lifetime energy cost savings at various efficiency levels. Learn more about the calculator assumptions and definitions. Project Type Is this a new installation or a replacement? New Replacement How many chillers will you purchase? Performance Factors Existing What is the existing design condition? Full Load
Measurements and model calculations of radiative fluxes for the...
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Measurements and model calculations of radiative fluxes for the Cabauw Experimental Site for Atmospheric Research, the Netherlands Knap, Wouter Royal Netherlands Meteorological...
Ab Initio Calculations of Light-Ion Fusion Reactions (Conference...
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Ab Initio Calculations of Light-Ion Fusion Reactions Citation Details In-Document Search ... Visit OSTI to utilize additional information resources in energy science and technology. A ...
Leading-order calculation of electric conductivity in hot quantum...
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Subject: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; ACTION INTEGRAL; CALCULATION METHODS; ELECTRIC CONDUCTIVITY; FEYNMAN DIAGRAM; GAUGE INVARIANCE; INTEGRAL EQUATIONS; QUANTUM ...
Calculations Of Damage To Rotating Targets Under Intense Beams...
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Beams For Super-Heavy Element Production Citation Details In-Document Search Title: Calculations Of Damage To Rotating Targets Under Intense Beams For Super-Heavy Element ...
A general higher-order remap algorithm for ALE calculations ...
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The locations of the shock and contact discontinuity in the Riemann shock tube problem are well captured. Cercion demonstrates a high degree of symmetry when calculating the Sedov ...
A Perturbation Approach to Calculating the Behavior of Hulti...
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A Perturbation Approach to Calculating the Behavior of Hulti-cell Radiofrequeocy Accelerating Strectures Citation Details In-Document Search Title: A Perturbation Approach to...
Magnetic Field Line Tracing Calculations for Conceptual PFC Design...
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PFC Design in the National Compact Stellarator Experiment Citation Details In-Document Search Title: Magnetic Field Line Tracing Calculations for Conceptual PFC Design in the ...
Microscopic Calculation of Fission Fragment Energies for the...
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these calculations also highlight the importance of local constraints on the fragments ... DOE Contract Number: W-7405-ENG-48 Resource Type: Technical Report Research Org: Lawrence ...
EPA Climate Leaders Simplified GHG Emissions Calculator (SGEC...
Simplified GHG Emissions Calculator (SGEC) AgencyCompany Organization: United States Environmental Protection Agency Sector: Energy, Climate Focus Area: Industry, Greenhouse...
Combined local-density and dynamical mean field theory calculations...
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field theory calculations for the compressed lanthanides Ce, Pr, and Nd Citation Details In-Document Search Title: Combined local-density and dynamical mean field theory ...
Energy savings estimates and cost benefit calculations for high...
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Technical Report: Energy savings estimates and cost benefit calculations for high performance relocatable classrooms Citation Details In-Document Search Title: Energy savings ...
Magnetic Field Line Tracing Calculations for Conceptual PFC Design...
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enabling the investigation of high beta physics in a compact stellarator geometry. ... In this paper, we report on the magnetic field line tracing calculations used to evaluate ...
Wind Energy Finance (WEF): An Online Calculator for Economic...
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interested in owning or benefiting from wind energy projects * Applicants pursuing 2002 ... The program can also calculate minimum energy contract price when the user enters minimum ...
Calculations in Support of JAEA Experiments. Update Oct 2015
Goda, Joetta Marie; James, Michael R.
2015-10-16
An update on calculations provided in support of the Japanese Atomic Energy Agency (JAEA) experiments is summarized in PowerPoint form.
FEMP Solar Hot Water Calculator | Open Energy Information
Water Calculator AgencyCompany Organization: Federal Energy Management Program Sector: Energy Focus Area: Buildings Phase: Determine Baseline Topics: Baseline projection...
Tool for calculation of CO2 emissions from organisations | Open...
lt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":"" Hide Map Language: English Tool for calculation of CO2 emissions from organisations Screenshot...
Measurement and Verification Plan and Savings Calculations Methods...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Document outlines measurement and verification planning and savings calculation methods for an energy savings performance contract. Microsoft Office document icon Download the M&V ...
Multigroup Radiation Transport in Supernova Light Curve Calculations...
Office of Scientific and Technical Information (OSTI)
Technical Report: Multigroup Radiation Transport in Supernova Light Curve Calculations Citation Details In-Document Search Title: Multigroup Radiation Transport in Supernova Light ...
Multigroup Radiation Transport in Supernova Light Curve Calculations...
Office of Scientific and Technical Information (OSTI)
Multigroup Radiation Transport in Supernova Light Curve Calculations Even, Wesley P. Los Alamos National Laboratory; Frey, Lucille H. Los Alamos National Laboratory; Fryer,...
Microscopic Calculation of Fission Fragment Energies for the...
Office of Scientific and Technical Information (OSTI)
We calculate the total kinetic and excitation energies of fragments produced in the ... 239Pu (nsub th, f) reaction and extracted their total kinetic and excitation energies. ...
EPA - Rainfall Erosivity Factor Calculator webpage | Open Energy...
Not Provided DOI Not Provided Check for DOI availability: http:crossref.org Online Internet link for EPA - Rainfall Erosivity Factor Calculator webpage Citation Environmental...
First Principles Calculations (and NMR Spectroscopy of Electrode...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
(and NMR Spectroscopy of Electrode Materials) First Principles Calculations (and NMR Spectroscopy of Electrode Materials) 2009 DOE Hydrogen Program and Vehicle Technologies Program ...
First Principles Calculations and NMR Spectroscopy of Electrode...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
and NMR Spectroscopy of Electrode Materials First Principles Calculations and NMR Spectroscopy of Electrode Materials 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle ...
First Principles Calculations and NMR Spectroscopy of Electrode...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
and NMR Spectroscopy of Electrode Materials First Principles Calculations and NMR Spectroscopy of Electrode Materials 2009 DOE Hydrogen Program and Vehicle Technologies Program ...
Qualified Software for Calculating Commercial Building Tax Deductions
Broader source: Energy.gov [DOE]
On this page you'll find a list of qualified computer software for calculating commercial building energy and power cost savings that meet federal tax incentive requirements.
First Principles Calculations and NMR Spectroscopy of Electrode...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Materials: NMR First Principles Calculations and NMR Spectroscopy of Electrode Materials: NMR 2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer...
IGES GHG Calculator For Solid Waste | Open Energy Information
Assessment to Protect the Environment (GRAPE) Electricity Markets Analysis (EMA) Model Gold Standard Program Model ... further results The GHG Calculator for Solid Waste is a...
On calculating the equilibrium structure of molecular crystals.
Mattsson, Ann Elisabet; Wixom, Ryan R.; Mattsson, Thomas Kjell Rene
2010-03-01
The difficulty of calculating the ambient properties of molecular crystals, such as the explosive PETN, has long hampered much needed computational investigations of these materials. One reason for the shortcomings is that the exchange-correlation functionals available for Density Functional Theory (DFT) based calculations do not correctly describe the weak intermolecular van der Waals' forces present in molecular crystals. However, this weak interaction also poses other challenges for the computational schemes used. We will discuss these issues in the context of calculations of lattice constants and structure of PETN with a number of different functionals, and also discuss if these limitations can be circumvented for studies at non-ambient conditions.
Relativistic mean field calculations in neutron-rich nuclei
Gangopadhyay, G.; Bhattacharya, Madhubrata [Department of Physics, University of Calcutta, 92 Acharya Prafulla Chandra Road, Kolkata 700 009 (India); Roy, Subinit [Saha Institute of Nuclear Physics, Block AF, Sector 1, Kolkata- 700 064 (India)
2014-08-14
Relativistic mean field calculations have been employed to study neutron rich nuclei. The Lagrange's equations have been solved in the co-ordinate space. The effect of the continuum has been effectively taken into account through the method of resonant continuum. It is found that BCS approximation performs as well as a more involved Relativistic Continuum Hartree Bogoliubov approach. Calculations reveal the possibility of modification of magic numbers in neutron rich nuclei. Calculation for low energy proton scattering cross sections shows that the present approach reproduces the density in very light neutron rich nuclei.
Numerical calculation of the ion polarization in MEIC
Derbenev, Yaroslav; Lin, Fanglei; Morozov, Vasiliy; Zhang, Yuhong; Kondratenko, Anatoliy; Kondratenko, M A; Filatov, Yury
2015-09-01
Ion polarization in the Medium-energy Electron-Ion Collider (MEIC) is controlled by means of universal 3D spin rotators designed on the basis of "weak" solenoids. We use numerical calculations to demonstrate that the 3D rotators have negligible effect on the orbital properties of the ring. We present calculations of the polarization dynamics along the collider's orbit for both longitudinal and transverse polarization directions at a beam interaction point. We calculate the degree of depolarization due to the longitudinal and transverse beam emittances in case when the zero-integer spin resonance is compensated.
CRC handbook of nuclear reactors calculations. Vol. II
Ronen, Y.
1986-01-01
This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.
Property:Building/MeanAnnualTempCalculationPeriod | Open Energy...
Property Edit with form History Property:BuildingMeanAnnualTempCalculationPeriod Jump to: navigation, search This is a property of type Number. Mean annual temperature during the...
Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...
Office of Scientific and Technical Information (OSTI)
Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction ...
Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...
Office of Scientific and Technical Information (OSTI)
for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction Calculations for Carbon-12 (ESP ...
Monte Carlo Hauser-Feshbach Calculations of Prompt Fission Neutrons...
Office of Scientific and Technical Information (OSTI)
Technical Report: Monte Carlo Hauser-Feshbach Calculations of Prompt Fission Neutrons and Gamma Rays: Application to Thermal Neutron-Induced Fission Reactions on U-235 and Pu-239 ...
Calculate Gas Phase Transport Properties of Pure Species and Mixtures
Energy Science and Technology Software Center (OSTI)
1997-10-20
DRFM is a set of routines and data bases used to calculate gas phase transport properties of pure species and mixtures. The program(s) may stand alone or may be used as part of a larger simulation.
Dose Rate Calculations for Rotary Mode Core Sampling Exhauster
FOUST, D.J.
2000-10-26
This document provides the calculated estimated dose rates for three external locations on the Rotary Mode Core Sampling (RMCS) exhauster HEPA filter housing, per the request of Characterization Field Engineering.
Comparative study of defect transition energy calculation methods...
Office of Scientific and Technical Information (OSTI)
Comparative study of defect transition energy calculation methods: The case of oxygen vacancy in In2O3 and ZnO Prev Next Title: Comparative study of defect transition energy ...
Point kinetics calculations with fully coupled thermal fluids reactivity feedback
Zhang, H.; Zou, L.; Andrs, D.; Zhao, H.; Martineau, R.
2013-07-01
The point kinetics model has been widely used in the analysis of the transient behavior of a nuclear reactor. In the traditional nuclear reactor system safety analysis codes such as RELAP5, the reactivity feedback effects are calculated in a loosely coupled fashion through operator splitting approach. This paper discusses the point kinetics calculations with the fully coupled thermal fluids and fuel temperature feedback implemented into the RELAP-7 code currently being developed with the MOOSE framework. (authors)
Basis functions for electronic structure calculations on spheres
Gill, Peter M. W. Loos, Pierre-FranÃ§ois Agboola, Davids
2014-12-28
We introduce a new basis function (the spherical Gaussian) for electronic structure calculations on spheres of any dimension D. We find general expressions for the one- and two-electron integrals and propose an efficient computational algorithm incorporating the Cauchy-Schwarz bound. Using numerical calculations for the D = 2 case, we show that spherical Gaussians are more efficient than spherical harmonics when the electrons are strongly localized.
Multigroup Radiation Transport in Supernova Light Curve Calculations
Office of Scientific and Technical Information (OSTI)
(Technical Report) | SciTech Connect Technical Report: Multigroup Radiation Transport in Supernova Light Curve Calculations Citation Details In-Document Search Title: Multigroup Radiation Transport in Supernova Light Curve Calculations Authors: Even, Wesley P. [1] ; Frey, Lucille H. [1] ; Fryer, Christopher L. [1] ; Young, Patrick [2] + Show Author Affiliations Los Alamos National Laboratory Arizona State University Publication Date: 2013-04-29 OSTI Identifier: 1077017 Report Number(s):
Ab Initio Calculations of Even Oxygen Isotopes with Chiral
Office of Scientific and Technical Information (OSTI)
Two-Plus-Three-Nucleon Interactions (Journal Article) | SciTech Connect Initio Calculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions Citation Details In-Document Search Title: Ab Initio Calculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions Authors: Hergert, H. ; Binder, S. ; Calci, A. ; Langhammer, J. ; Roth, R. Publication Date: 2013-06-10 OSTI Identifier: 1102833 Type: Publisher's Accepted Manuscript Journal Name: Physical
Strategy Guideline. Accurate Heating and Cooling Load Calculations
Burdick, Arlan
2011-06-01
This guide presents the key criteria required to create accurate heating and cooling load calculations and offers examples of the implications when inaccurate adjustments are applied to the HVAC design process. The guide shows, through realistic examples, how various defaults and arbitrary safety factors can lead to significant increases in the load estimate. Emphasis is placed on the risks incurred from inaccurate adjustments or ignoring critical inputs of the load calculation.
Strategy Guideline: Accurate Heating and Cooling Load Calculations
Burdick, A.
2011-06-01
This guide presents the key criteria required to create accurate heating and cooling load calculations and offers examples of the implications when inaccurate adjustments are applied to the HVAC design process. The guide shows, through realistic examples, how various defaults and arbitrary safety factors can lead to significant increases in the load estimate. Emphasis is placed on the risks incurred from inaccurate adjustments or ignoring critical inputs of the load calculation.
Quantum Monte Carlo Calculations of Light Nuclei Using Chiral Potentials
Office of Scientific and Technical Information (OSTI)
(Journal Article) | SciTech Connect Quantum Monte Carlo Calculations of Light Nuclei Using Chiral Potentials Citation Details In-Document Search Title: Quantum Monte Carlo Calculations of Light Nuclei Using Chiral Potentials Authors: Lynn, J. E. ; Carlson, J. ; Epelbaum, E. ; Gandolfi, S. ; Gezerlis, A. ; Schwenk, A. Publication Date: 2014-11-04 OSTI Identifier: 1181024 Grant/Contract Number: AC02-05CH11231 Type: Publisher's Accepted Manuscript Journal Name: Physical Review Letters
Calculations Of Damage To Rotating Targets Under Intense Beams For
Office of Scientific and Technical Information (OSTI)
Super-Heavy Element Production (Journal Article) | SciTech Connect Calculations Of Damage To Rotating Targets Under Intense Beams For Super-Heavy Element Production Citation Details In-Document Search Title: Calculations Of Damage To Rotating Targets Under Intense Beams For Super-Heavy Element Production In the production of the heaviest elements, the cross-sections for evaporation residues are very small, which, in turn, requires the usage of intense beams. Hence, the targets used tend to
Direct Aerosol Forcing: Calculation from Observables and Sensitivities to
Office of Scientific and Technical Information (OSTI)
Inputs (Journal Article) | SciTech Connect Direct Aerosol Forcing: Calculation from Observables and Sensitivities to Inputs Citation Details In-Document Search Title: Direct Aerosol Forcing: Calculation from Observables and Sensitivities to Inputs Understanding sources of uncertainty in aerosol direct radiative forcing (DRF), the difference in a given radiative flux component with and without aerosol, is essential to quantifying changes in Earth's radiation budget. We examine the uncertainty
Comparison of Methods for Calculating Radiative Heat Transfer
Schock, Alfred; Abbate, M J
2012-01-19
Various approximations for calculating radioactive heat transfer between parallel surfaces are evaluated. This is done by applying the approximations based on total emissivities to a special case of known spectral emissivities, for which exact heat transfer calculations are possible. Comparison of results indicates that the best approximation is obtained by basing the emissivity of the receiving surface primarily on the temperature of the emitter. A specific model is shown to give excellent agreement over a very wide range of values.
Probing Actinide Electronic Structure through Pu Cluster Calculations
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Ryzhkov, Mickhail V.; Mirmelstein, Alexei; Yu, Sung-Woo; Chung, Brandon W.; Tobin, James G.
2013-02-26
The calculations for the electronic structure of clusters of plutonium have been performed, within the framework of the relativistic discrete-variational method. Moreover, these theoretical results and those calculated earlier for related systems have been compared to spectroscopic data produced in the experimental investigations of bulk systems, including photoelectron spectroscopy. Observation of the changes in the Pu electronic structure as a function of size provides powerful insight for aspects of bulk Pu electronic structure.
Energy Cost Calculator for Commercial Ice Machines | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Ice Machines Energy Cost Calculator for Commercial Ice Machines Vary capacity size, energy cost, hours of operation, and /or efficiency level. INPUT SECTION Input the following data (if any parameter is missing, calculator will set to default value). Defaults Type of Ice Cube Machine Ice Making Head Self-Contained Remote Condensing Unit Ice Making Head Type of Condenser Air Cooled Water Cooled Air Cooled Ice Harvest Rate (lbs. ice per 24 hrs.) lbs. per 24 hrs. 500 lbs. per 24 hrs. Energy
Energy Cost Calculator for Compact Fluorescent Lamps | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Compact Fluorescent Lamps Energy Cost Calculator for Compact Fluorescent Lamps This tool calculates the payback period for your calc retrofit project. Modify the default values to suit your project requirements. Existing incandescent lamp wattage Watts Incandescent lamp cost dollars Incandescent lamp life 1000 hours calc wattage Watts calc cost dollars calc life (6000 hours for moderate use, 10000 hours for high use) 8000 hours Number of lamps in retrofit project Hours operating per week hours
Energy Cost Savings Calculator for Commercial Boilers: Closed Loop, Space
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Heating Applications Only | Department of Energy Commercial Boilers: Closed Loop, Space Heating Applications Only Energy Cost Savings Calculator for Commercial Boilers: Closed Loop, Space Heating Applications Only This cost calculator is a screening tool that estimates a product's lifetime energy cost savings at various efficiency levels. Learn more about the base model and other assumptions. Project Type Is this a new installation or a replacement? New Replacement What is the deliverable
Theoretical calculating the thermodynamic properties of solid sorbents for
Office of Scientific and Technical Information (OSTI)
CO{sub 2} capture applications (Technical Report) | SciTech Connect Technical Report: Theoretical calculating the thermodynamic properties of solid sorbents for CO{sub 2} capture applications Citation Details In-Document Search Title: Theoretical calculating the thermodynamic properties of solid sorbents for CO{sub 2} capture applications Since current technologies for capturing CO{sub 2} to fight global climate change are still too energy intensive, there is a critical need for development
Toward Catalyst Design from Theoretical Calculations (464th Brookhaven
Office of Scientific and Technical Information (OSTI)
Lecture) (Conference) | SciTech Connect Conference: Toward Catalyst Design from Theoretical Calculations (464th Brookhaven Lecture) Citation Details In-Document Search Title: Toward Catalyst Design from Theoretical Calculations (464th Brookhaven Lecture) Catalysts have been used to speed up chemical reactions as long as yeast has been used to make bread rise. Today, catalysts are used everywhere from home kitchens to industrial chemical factories. In the near future, new catalysts being
CRC handbook of nuclear reactors calculations. Vol. I
Ronen, Y.
1986-01-01
This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described.
Graphical User Interface for Simplified Neutron Transport Calculations
Schwarz, Randolph; Carter, Leland L
2011-07-18
A number of codes perform simple photon physics calculations. The nuclear industry is lacking in similar tools to perform simplified neutron physics shielding calculations. With the increased importance of performing neutron calculations for homeland security applications and defense nuclear nonproliferation tasks, having an efficient method for performing simple neutron transport calculations becomes increasingly important. Codes such as Monte Carlo N-particle (MCNP) can perform the transport calculations; however, the technical details in setting up, running, and interpreting the required simulations are quite complex and typically go beyond the abilities of most users who need a simple answer to a neutron transport calculation. The work documented in this report resulted in the development of the NucWiz program, which can create an MCNP input file for a set of simple geometries, source, and detector configurations. The user selects source, shield, and tally configurations from a set of pre-defined lists, and the software creates a complete MCNP input file that can be optionally run and the results viewed inside NucWiz.
Air ingression calculations for selected plant transients using MELCOR
Kmetyk, L.N.
1994-01-01
Two sets of MELCOR calculations have been completed studying the effects of air ingression on the consequences of various severe accident scenarios. One set of calculations analyzed a station blackout with surge line failure prior to vessel breach, starting from nominal operating conditions; the other set of calculations analyzed a station blackout occurring during shutdown (refueling) conditions. Both sets of analyses were for the Surry plant, a three-loop Westinghouse PWR. For both accident scenarios, a basecase calculation was done, and then repeated with air ingression from containment into the core region following core degradation and vessel failure. In addition to the two sets of analyses done for this program, a similar air-ingression sensitivity study was done as part of a low-power/shutdown PRA, with results summarized here; that PRA study also analyzed a station blackout occurring during shutdown (refueling) conditions, but for the Grand Gulf plant, a BWR/6 with Mark III containment. These studies help quantify the amount of air that would have to enter the core region to have a significant impact on the severe accident scenario, and demonstrate that one effect, of air ingression is substantial enhancement of ruthenium release. These calculations also show that, while the core clad temperatures rise more quickly due to oxidation with air rather than steam, the core also degrades and relocates more quickly, so that no sustained, enhanced core heatup is predicted to occur with air ingression.
EXTERNAL CRITICALITY CALCULATION FOR DOE SNF CODISPOSAL WASTE PACKAGES
H. Radulescu
2002-10-18
The purpose of this document is to evaluate the potential for criticality for the fissile material that could accumulate in the near-field (invert) and in the far-field (host rock) beneath the U.S. Department of Energy (DOE) spent nuclear fuel (SNF) codisposal waste packages (WPs) as they degrade in the proposed monitored geologic repository at Yucca Mountain. The scope of this calculation is limited to the following DOE SNF types: Shippingport Pressurized Water Reactor (PWR), Enrico Fermi, Fast Flux Test Facility (FFTF), Fort St. Vrain, Melt and Dilute, Shippingport Light Water Breeder Reactor (LWBR), N-Reactor, and Training, Research, Isotope, General Atomics reactor (TRIGA). The results of this calculation are intended to be used for estimating the probability of criticality in the near-field and in the far-field. There are no limitations on use of the results of this calculation. The calculation is associated with the waste package design and was developed in accordance with the technical work plan, ''Technical Work Plan for: Department of Energy Spent Nuclear Fuel and Plutonium Disposition Work Packages'' (Bechtel SAIC Company, LLC [BSC], 2002a). This calculation is subject to the Quality Assurance Requirements and Description (QARD) per the activity evaluation under work package number P6212310Ml in the technical work plan TWP-MGR-MD-0000 10 REV 01 (BSC 2002a).
Materials Databases Infrastructure Constructed by First Principles Calculations: A Review
Lin, Lianshan
2015-10-13
The First Principles calculations, especially the calculation based on High-Throughput Density Functional Theory, have been widely accepted as the major tools in atom scale materials design. The emerging super computers, along with the powerful First Principles calculations, have accumulated hundreds of thousands of crystal and compound records. The exponential growing of computational materials information urges the development of the materials databases, which not only provide unlimited storage for the daily increasing data, but still keep the efficiency in data storage, management, query, presentation and manipulation. This review covers the most cutting edge materials databases in materials design, and their hot applications such as in fuel cells. By comparing the advantages and drawbacks of these high-throughput First Principles materials databases, the optimized computational framework can be identified to fit the needs of fuel cell applications. The further development of high-throughput DFT materials database, which in essence accelerates the materials innovation, is discussed in the summary as well.
Theory and calculations of synchrotron instabilities and feedback-mechanism
Meijssen, T.E.M.
1981-08-12
The properties of the phenomenon synchrotron radiation are given with general theory on the basic processes and betatron and synchrotron oscillations. A more extended theoretical view at transverse instabilities and the influence of a damping feedback system are discussed. The longitudinal case is covered. For the calculations on the longitudinal case with M equally spaced pointbunches, with N electrons each, in the storage ring, the parasitic modes of the radio-frequency cavity were measured. A description of this is given. The values of damping rates of the longitudinal feedback system found, are as expected, but too low to damp the longitudinal instabilities calculated. This might be caused by the input data. The calculated growth rates are very sensitive to changes in frequency and width of the parasitic modes, which were measured under conditions differing slightly from the operating conditions.
Chemical-equilibrium calculations for aqueous geothermal brines
Kerrisk, J.F.
1981-05-01
Results from four chemical-equilibrium computer programs, REDEQL.EPAK, GEOCHEM, WATEQF, and SENECA2, have been compared with experimental solubility data for some simple systems of interest with geothermal brines. Seven test cases involving solubilities of CaCO/sub 3/, amorphous SiO/sub 2/, CaSO/sub 4/, and BaSO/sub 4/ at various temperatures from 25 to 300/sup 0/C and in NaCl or HCl solutions of 0 to 4 molal have been examined. Significant differences between calculated results and experimental data occurred in some cases. These differences were traced to inaccuracies in free-energy or equilibrium-constant data and in activity coefficients used by the programs. Although currently available chemical-equilibrium programs can give reasonable results for these calculations, considerable care must be taken in the selection of free-energy data and methods of calculating activity coefficients.
Calculating nonlocal optical properties of structures with arbitrary shape.
McMahon, J. M.; Gray, S. K.; Schatz, G. C.; Northwestern Univ.
2010-07-16
In a recent Letter [J. M. McMahon, S. K. Gray, and G. C. Schatz, Phys. Rev. Lett. 103, 097403 (2009)], we outlined a computational method to calculate the optical properties of structures with a spatially nonlocal dielectric function. In this paper, we detail the full method and verify it against analytical results for cylindrical nanowires. Then, as examples of our method, we calculate the optical properties of Au nanostructures in one, two, and three dimensions. We first calculate the transmission, reflection, and absorption spectra of thin films. Because of their simplicity, these systems demonstrate clearly the longitudinal (or volume) plasmons characteristic of nonlocal effects, which result in anomalous absorption and plasmon blueshifting. We then study the optical properties of spherical nanoparticles, which also exhibit such nonlocal effects. Finally, we compare the maximum and average electric field enhancements around nanowires of various shapes to local theory predictions. We demonstrate that when nonlocal effects are included, significant decreases in such properties can occur.
Fast optimization and dose calculation in scanned ion beam therapy
Hild, S.; Graeff, C.; Trautmann, J.; Kraemer, M.; Zink, K.; Durante, M.; Bert, C.
2014-07-15
Purpose: Particle therapy (PT) has advantages over photon irradiation on static tumors. An increased biological effectiveness and active target conformal dose shaping are strong arguments for PT. However, the sensitivity to changes of internal geometry complicates the use of PT for moving organs. In case of interfractionally moving objects adaptive radiotherapy (ART) concepts known from intensity modulated radiotherapy (IMRT) can be adopted for PT treatments. One ART strategy is to optimize a new treatment plan based on daily image data directly before a radiation fraction is delivered [treatment replanning (TRP)]. Optimizing treatment plans for PT using a scanned beam is a time consuming problem especially for particles other than protons where the biological effective dose has to be calculated. For the purpose of TRP, fast optimization and fast dose calculation have been implemented into the GSI in-house treatment planning system (TPS) TRiP98. Methods: This work reports about the outcome of a code analysis that resulted in optimization of the calculation processes as well as implementation of routines supporting parallel execution of the code. To benchmark the new features, the calculation time for therapy treatment planning has been studied. Results: Compared to the original version of the TPS, calculation times for treatment planning (optimization and dose calculation) have been improved by a factor of 10 with code optimization. The parallelization of the TPS resulted in a speedup factor of 12 and 5.5 for the original version and the code optimized version, respectively. Hence the total speedup of the new implementation of the authors' TPS yielded speedup factors up to 55. Conclusions: The improved TPS is capable of completing treatment planning for ion beam therapy of a prostate irradiation considering organs at risk in this has been overseen in the review process. Also see below 6 min.
Calculation of anharmonic couplings and THz linewidths in crystalline PETN
Pereverzev, Andrey Sewell, Thomas D. Thompson, Donald L.
2014-03-14
We have developed a method for calculating the cubic anharmonic couplings in molecular crystals for normal modes with the zero wave vector in the framework of classical mechanics, and have applied it, combined with perturbation theory, to obtain the linewidths of all infrared absorption lines of crystalline pentaerythritol tetranitrate in the terahertz region (<100 cm{sup ?1}). Contributions of the up- and down-conversion processes to the total linewidth were calculated. The computed linewidths are in qualitative agreement with experimental data and the results of molecular dynamics simulations. Quantum corrections to the linewidths in the terahertz region are shown to be negligible.
Fast, narrow-band computer model for radiation calculations
Yan, Z.; Holmstedt, G.
1997-01-01
A fast, narrow-band computer model, FASTNB, which predicts the radiation intensity in a general nonisothermal and nonhomogeneous combustion environment, has been developed. The spectral absorption coefficients of the combustion products, including carbon dioxide, water vapor, and soot, are calculated based on the narrow-band model. FASTNB provides an accurate calculation at reasonably high speed. Compared with Grosshandler`s narrow-band model, RADCAL, which has been verified quite extensively against experimental measurements, FASTNB is more than 20 times faster and gives almost exactly the same results.
Boiler efficiency calculation for multiple fuel burning boilers
Khodabakhsh, F.; Munukutla, S.; Clary, A.T.
1996-12-31
A rigorous method based on the output/loss approach is developed for calculating the coal flow rate for multiple fuel burning boilers. It is assumed that the ultimate analyses of all the fuels are known. In addition, it is assumed that the flow rates of all the fuels with the exception of coal are known. The calculations are performed iteratively, with the first iteration taking into consideration coal as the only fuel. The results converge to the correct answer after a few number of iterations, typically four or five.
SUBJECT: CALCULATION OF JOB CREATION THROUGH RECOVERY ACT FUNDING
WEATHERIZATION PROGRAM NOTICE 10-14A STATE ENERGY PROGRAM NOTICE 10-07A EECBG PROGRAM NOTICE 10-08A EFFECTIVE DATE: September 29, 2010 SUBJECT: CALCULATION OF JOB CREATION THROUGH DOE RECOVERY ACT FUNDING REFERENCE: OMB Memorandum M-10-08 Updated Guidance on the American Recovery and Reinvestment Act - Data Quality, Non-Reporting Recipients, and Reporting of Job Estimates, December 18, 2009. 1.0 PURPOSE: Provides additional guidance to grantees on the methodology for calculating jobs created and
RADIATION DOSE CALCULATION FOR FUEL HANDLING FACILITY CLOSURE CELL EQUIPMENT
D. Musat
2005-03-07
This calculation evaluates the energy deposition rates in silicon, gamma and neutron flux spectra at various locations of interest throughout FHF closure cell. The physical configuration features a complex geometry, with particle flux attenuation of many orders of magnitude that cannot be modeled by computer codes that use deterministic methods. Therefore, in this calculation the Monte Carlo method was used to solve the photon and neutron transport. In contrast with the deterministic methods, Monte Carlo does not solve an explicit transport equation, but rather obtain answers by simulating individual particles, recording the aspects of interest of their average behavior, and estimates the statistical precision of the results.
Energy Cost Calculator for Faucets and Showerheads | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Faucets and Showerheads Energy Cost Calculator for Faucets and Showerheads Vary utility cost, hours of operation, and /or efficiency level. INPUT SECTION Input the following data (if any parameter is missing, calculator will set to the default value). Defaults Water Saving Product Faucet Showerhead Faucet Showerhead Flow Rate gpm 2.2 gpm 2.5 gpm Water Cost (including waste water charges) $/1000 gal $4/1000 gal $4/1000 gal Gas Cost $/therm 0.60 $/therm 0.60 $/therm Electricity Cost $/kWh 0.06
Fuzzy-probabilistic calculations of water-balance uncertainty
Faybishenko, B.
2009-10-01
Hydrogeological systems are often characterized by imprecise, vague, inconsistent, incomplete, or subjective information, which may limit the application of conventional stochastic methods in predicting hydrogeologic conditions and associated uncertainty. Instead, redictions and uncertainty analysis can be made using uncertain input parameters expressed as probability boxes, intervals, and fuzzy numbers. The objective of this paper is to present the theory for, and a case study as an application of, the fuzzyprobabilistic approach, ombining probability and possibility theory for simulating soil water balance and assessing associated uncertainty in the components of a simple waterbalance equation. The application of this approach is demonstrated using calculations with the RAMAS Risk Calc code, to ssess the propagation of uncertainty in calculating potential evapotranspiration, actual evapotranspiration, and infiltration-in a case study at the Hanford site, Washington, USA. Propagation of uncertainty into the results of water-balance calculations was evaluated by hanging he types of models of uncertainty incorporated into various input parameters. The results of these fuzzy-probabilistic calculations are compared to the conventional Monte Carlo simulation approach and estimates from field observations at the Hanford site.
How to Calculate the True Cost of Steam
Broader source: Energy.gov [DOE]
This brief details how to calculate the true cost of steam, which is important for monitoring and managing energy use in a plant, evaluating proposed design changes to the generation or distribution infrastructure and the process itself, and for continuing to identify competitive advantages through steam system and plant efficiency improvements.
RZ calculations for self shielded multigroup cross sections
Li, M.; Sanchez, R.; Zmijarevic, I.; Stankovski, Z.
2006-07-01
A collision probability method has been implemented for RZ geometries. The method accounts for white albedo, specular and translation boundary condition on the top and bottom surfaces of the geometry and for a white albedo condition on the outer radial surface. We have applied the RZ CP method to the calculation of multigroup self shielded cross sections for Gadolinia absorbers in BWRs. (authors)
Calculation of Job Creation Through DOE Recovery Act Funding
Broader source: Energy.gov [DOE]
U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Weatherization Assistance Program, State Energy Program, and Energy Efficiency and Conservation Block Grant program notices calculating job creation under projects selected by states, local governments, Indian tribes, and overseas U.S. territories with funding under the 2009 American Reinvestment and Recovery Act.
Atomic Structure Calculations from the Los Alamos Atomic Physics Codes
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Cowan, R. D.
The well known Hartree-Fock method of R.D. Cowan, developed at Los Alamos National Laboratory, is used for the atomic structure calculations. Electron impact excitation cross sections are calculated using either the distorted wave approximation (DWA) or the first order many body theory (FOMBT). Electron impact ionization cross sections can be calculated using the scaled hydrogenic method developed by Sampson and co-workers, the binary encounter method or the distorted wave method. Photoionization cross sections and, where appropriate, autoionizations are also calculated. Original manuals for the atomic structure code, the collisional excitation code, and the ionization code, are available from this website. Using the specialized interface, you will be able to define the ionization stage of an element and pick the initial and final configurations. You will be led through a series of web pages ending with a display of results in the form of cross sections, collision strengths or rates coefficients. Results are available in tabular and graphic form.
Gas-storage calculations yield accurate cavern, inventory data
Mason, R.G. )
1990-07-02
This paper discusses how determining gas-storage cavern size and inventory variance is now possible with calculations based on shut-in cavern surveys. The method is the least expensive of three major methods and is quite accurate when recorded over a period of time.
EQ6 Calculations for Chemical Degradation of Navy Waste Packages
S. LeStrange
1999-11-15
The Monitored Geologic Repository Waste Package Operations of the Civilian Radioactive Waste Management System Management & Operating Contractor (CRWMS M&O) performed calculations to provide input for disposal of spent nuclear fuel (SNF) from the Navy (Refs. 1 and 2). The Navy SNF has been considered for disposal at the potential Yucca Mountain site. For some waste packages, the containment may breach (Ref. 3), allowing the influx of water. Water in the waste package may moderate neutrons, increasing the likelihood of a criticality event within the waste package. The water may gradually leach the fissile components and neutron absorbers out of the waste package. In addition, the accumulation of silica (SiO{sub 2}) in the waste package over time may further affect the neutronics of the system. This study presents calculations of the long-term geochemical behavior of waste packages containing the Enhanced Design Alternative (EDA) II inner shell, Navy canister, and basket components. The calculations do not include the Navy SNF in the waste package. The specific study objectives were to determine the chemical composition of the water and the quantity of silicon (Si) and other solid corrosion products in the waste package during the first million years after the waste package is breached. The results of this calculation will be used to ensure that the type and amount of criticality control material used in the waste package design will prevent criticality.
Calculated analysis of experiments in fast neutron reactors
Davydov, V. K. Kalugina, K. M.; Gomin, E. A.
2012-12-15
In this paper, the results of computational simulation of experiments with the MK-I core of the JOYO fast neutron sodium-cooled reactor are presented. The MCU-KS code based on the Monte Carlo method was used for calculations. The research was aimed at additional verification of the MCU-KS code for systems with a fast neutron spectrum.
Benchmarking kinetic calculations of resistive wall mode stability
Berkery, J. W.; Sabbagh, S. A.; Liu, Y. Q.; Betti, R.
2014-05-15
Validating the calculations of kinetic resistive wall mode (RWM) stability is important for confidently predicting RWM stable operating regions in ITER and other high performance tokamaks for disruption avoidance. Benchmarking the calculations of the Magnetohydrodynamic Resistive Spectrum—Kinetic (MARS-K) [Y. Liu et al., Phys. Plasmas 15, 112503 (2008)], Modification to Ideal Stability by Kinetic effects (MISK) [B. Hu et al., Phys. Plasmas 12, 057301 (2005)], and Perturbed Equilibrium Nonambipolar Transport (PENT) [N. Logan et al., Phys. Plasmas 20, 122507 (2013)] codes for two Solov'ev analytical equilibria and a projected ITER equilibrium has demonstrated good agreement between the codes. The important particle frequencies, the frequency resonance energy integral in which they are used, the marginally stable eigenfunctions, perturbed Lagrangians, and fluid growth rates are all generally consistent between the codes. The most important kinetic effect at low rotation is the resonance between the mode rotation and the trapped thermal particle's precession drift, and MARS-K, MISK, and PENT show good agreement in this term. The different ways the rational surface contribution was treated historically in the codes is identified as a source of disagreement in the bounce and transit resonance terms at higher plasma rotation. Calculations from all of the codes support the present understanding that RWM stability can be increased by kinetic effects at low rotation through precession drift resonance and at high rotation by bounce and transit resonances, while intermediate rotation can remain susceptible to instability. The applicability of benchmarked kinetic stability calculations to experimental results is demonstrated by the prediction of MISK calculations of near marginal growth rates for experimental marginal stability points from the National Spherical Torus Experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)].
Brachytherapy structural shielding calculations using Monte Carlo generated, monoenergetic data
Zourari, K.; Peppa, V.; Papagiannis, P.; Ballester, Facundo; Siebert, Frank-André
2014-04-15
Purpose: To provide a method for calculating the transmission of any broad photon beam with a known energy spectrum in the range of 20–1090 keV, through concrete and lead, based on the superposition of corresponding monoenergetic data obtained from Monte Carlo simulation. Methods: MCNP5 was used to calculate broad photon beam transmission data through varying thickness of lead and concrete, for monoenergetic point sources of energy in the range pertinent to brachytherapy (20–1090 keV, in 10 keV intervals). The three parameter empirical model introduced byArcher et al. [“Diagnostic x-ray shielding design based on an empirical model of photon attenuation,” Health Phys. 44, 507–517 (1983)] was used to describe the transmission curve for each of the 216 energy-material combinations. These three parameters, and hence the transmission curve, for any polyenergetic spectrum can then be obtained by superposition along the lines of Kharrati et al. [“Monte Carlo simulation of x-ray buildup factors of lead and its applications in shielding of diagnostic x-ray facilities,” Med. Phys. 34, 1398–1404 (2007)]. A simple program, incorporating a graphical user interface, was developed to facilitate the superposition of monoenergetic data, the graphical and tabular display of broad photon beam transmission curves, and the calculation of material thickness required for a given transmission from these curves. Results: Polyenergetic broad photon beam transmission curves of this work, calculated from the superposition of monoenergetic data, are compared to corresponding results in the literature. A good agreement is observed with results in the literature obtained from Monte Carlo simulations for the photon spectra emitted from bare point sources of various radionuclides. Differences are observed with corresponding results in the literature for x-ray spectra at various tube potentials, mainly due to the different broad beam conditions or x-ray spectra assumed. Conclusions: The data of this work allow for the accurate calculation of structural shielding thickness, taking into account the spectral variation with shield thickness, and broad beam conditions, in a realistic geometry. The simplicity of calculations also obviates the need for the use of crude transmission data estimates such as the half and tenth value layer indices. Although this study was primarily designed for brachytherapy, results might also be useful for radiology and nuclear medicine facility design, provided broad beam conditions apply.
Identifying and bounding uncertainties in nuclear reactor thermal power calculations
Phillips, J.; Hauser, E.; Estrada, H.
2012-07-01
Determination of the thermal power generated in the reactor core of a nuclear power plant is a critical element in the safe and economic operation of the plant. Direct measurement of the reactor core thermal power is made using neutron flux instrumentation; however, this instrumentation requires frequent calibration due to changes in the measured flux caused by fuel burn-up, flux pattern changes, and instrumentation drift. To calibrate the nuclear instruments, steam plant calorimetry, a process of performing a heat balance around the nuclear steam supply system, is used. There are four basic elements involved in the calculation of thermal power based on steam plant calorimetry: The mass flow of the feedwater from the power conversion system, the specific enthalpy of that feedwater, the specific enthalpy of the steam delivered to the power conversion system, and other cycle gains and losses. Of these elements, the accuracy of the feedwater mass flow and the feedwater enthalpy, as determined from its temperature and pressure, are typically the largest contributors to the calorimetric calculation uncertainty. Historically, plants have been required to include a margin of 2% in the calculation of the reactor thermal power for the licensed maximum plant output to account for instrumentation uncertainty. The margin is intended to ensure a cushion between operating power and the power for which safety analyses are performed. Use of approved chordal ultrasonic transit-time technology to make the feedwater flow and temperature measurements (in place of traditional differential-pressure- based instruments and resistance temperature detectors [RTDs]) allows for nuclear plant thermal power calculations accurate to 0.3%-0.4% of plant rated power. This improvement in measurement accuracy has allowed many plant operators in the U.S. and around the world to increase plant power output through Measurement Uncertainty Recapture (MUR) up-rates of up to 1.7% of rated power, while also decreasing the probability of significant over-power events. This paper will examine the basic elements involved in calculation of thermal power using ultrasonic transit-time technology and will discuss the criteria for bounding uncertainties associated with each element in order to achieve reactor thermal power calculations to within 0.3% to 0.4%. (authors)
Native defects in Tl6SI4: Density functional calculations
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Shi, Hongliang; Du, Mao -Hua
2015-05-05
In this study, Tl6SI4 is a promising room-temperature semiconductor radiation detection material. Here, we report density functional calculations of native defects and dielectric properties of Tl6SI4. Formation energies and defect levels of native point defects and defect complexes are calculated. Donor-acceptor defect complexes are shown to be abundant in Tl6SI4. High resistivity can be obtained by Fermi level pinning by native donor and acceptor defects. Deep donors that are detrimental to electron transport are identified and methods to mitigate such problem are discussed. Furthermore, we show that mixed ionic-covalent character of Tl6SI4 gives rise to enhanced Born effective charges andmoreÂ Â» large static dielectric constant, which provides effective screening of charged defects and impurities.Â«Â less
HLW Canister and Can-In-Canister Drop Calculation
H. Marr
1999-09-15
The purpose of this calculation is to evaluate the structural response of the standard high-level waste (HLW) canister and the HLW canister containing the cans of immobilized plutonium (''can-in-canister'' throughout this document) to the drop event during the handling operation. The objective of the calculation is to provide the structure parameter information to support the canister design and the waste handling facility design. Finite element solution is performed using the commercially available ANSYS Version (V) 5.4 finite element code. Two-dimensional (2-D) axisymmetric and three-dimensional (3-D) finite element representations for the standard HLW canister and the can-in-canister are developed and analyzed using the dynamic solver.
Interactive savings calculations for RCS measures, six case studies
Stovall, T.K.
1983-11-01
Many Residential Conservation Service (RCS) audits are based, in whole or in part, on the RCS Model Audit. This audit calculates the savings for each measure independently, that is, as if no other conservation actions were taken. This method overestimates the total savings due to a group of measures, and an explanatory warning is given to the customer. Presenting interactive results to consumers would increase the perceived credibility of the audit results by eliminating the need for the warning about uncalculated interactive effects. An increased level of credibility would hopefully lead to an increased level of conservation actions based on the audit results. Because many of the existing RCS audits are based on the RCS Model Audit, six case studies were produced to show that the Model Audit algorithms can be used to produce interactive savings estimates. These six Model Audit case studies, as well as two Computerized Instrumented Residential Audit cases, are presented along with a discussion of the calculation methods used.
Calculates Neutron Production in Canisters of High-level Waste
Energy Science and Technology Software Center (OSTI)
1993-01-15
ALPHN calculates the (alpha,n) neutron production rate of a canister of vitrified high-level waste. The user supplies the chemical composition of the glass or glass-ceramic and the curies of the alpha-emitting actinides present. The output of the program gives the (alpha,n) neutron production of each actinide in neutrons per second and the total for the canister. The (alpha,n) neutron production rates are source terms only; that is, they are production rates within the glass andmoreÂ Â» do not take into account the shielding effect of the glass. For a given glass composition, the user can calculate up to eight cases simultaneously; these cases are based on the same glass composition but contain different quantities of actinides per canister.Â«Â less
Variational calculations of the HT{sup +} rovibrational energies
Bekbaev, A. K.; Korobov, V. I.; Dineykhan, M.
2011-04-15
In this Brief Report, we use the exponential explicitly correlated variational basis set of the type exp(-{alpha}{sub n}R-{beta}{sub n}r{sub 1}-{gamma}{sub n}r{sub 2}) to calculate systematically the nonrelativistic bound-state energies for the hydrogen molecular ion HT{sup +}. We perform calculations for the states of the total orbital angular momentum L=0 and 1 with the complete set of vibrational quantum numbers v= 0-23, as well as for the states of L= 2-5 and v= 0-5. The E1 dipole transition moments, which are of importance for the planning of spectroscopic laser experiments, have been obtained as well.
Mesoscale polycrystal calculations of damage in spallation in metals
Tonks, Davis L [Los Alamos National Laboratory; Bingert, John F [Los Alamos National Laboratory; Livescu, Veronica [Los Alamos National Laboratory; Luo, Shengnian [Los Alamos National Laboratory; Bronkhorst, C A [Los Alamos National Laboratory
2010-01-01
The goal of this project is to produce a damage model for spallation in metals informed by the polycrystalline grain structure at the mesoscale. Earlier damage models addressed the continuwn macroscale in which these effects were averaged out. In this work we focus on cross sections from recovered samples examined with EBSD (electron backscattered diffraction), which reveal crystal grain orientations and voids. We seek to understand the loading histories of specific sample regions by meshing up the crystal grain structure of these regions and simulating the stress, strain, and damage histories in our hydro code, FLAG. The stresses and strain histories are the fundamental drivers of damage and must be calculated. The calculated final damage structures are compared with those from the recovered samples to validate the simulations.
Optimized Algorithm for Collision Probability Calculations in Cubic Geometry
Garcia, R.D.M.
2004-06-15
An optimized algorithm for implementing a recently developed method of computing collision probabilities (CPs) in three dimensions is reported in this work for the case of a homogeneous cube. Use is made of the geometrical regularity of the domain to rewrite, in a very compact way, the approximate formulas for calculating CPs in general three-dimensional geometry that were derived in a previous work by the author. The ensuing gain in computation time is found to be substantial: While the computation time associated with the general formulas increases as K{sup 2}, where K is the number of elements used in the calculation, that of the specific formulas increases only linearly with K. Accurate numerical results are given for several test cases, and an extension of the algorithm for computing the self-collision probability for a hexahedron is reported at the end of the work.
Transmutation calculations for the accelerator transmutation of waste (ATW) program
Wilson, W.B.; Arthur, E.D.; Bowman, C.D.; Engel, L.N.; England, T.R.; Hughes, H.G.; Lisowski, P.W.; Perry, R.T.
1991-01-01
The disposal of radioactive waste by the transmutation of long-lived radionuclides is being considered; now using neutrons produced with an intense beam of 1.6-GeV protons on a Pb-Bi target. Study teams have been active in the areas of accelerator design, beam transport, radiation transport, transmutation, fluid flow and heat transfer, process chemistry and system analyses. Work is of a preliminary and developmental nature. Here we describe these preliminary efforts in transmutation calculations; the tools developed, status of basic nuclear data, and some early results. These calculations require the description of the intensity and spectrum of neutrons produced by the beam, the distribution of nuclides produced in the medium-energy reactions, the transport of particles produced by the beam, the transmutation of the target materials and transmutation products, and the decay properties of the inventory of radionuclides produced.
Strategy Guideline: Accurate Heating and Cooling Load Calculations
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Strategy Guideline: Accurate Heating and Cooling Load Calculations Arlan Burdick IBACOS, Inc. June 2011 ii NOTICE This report was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process
Hot zero power reactor calculations using the Insilico code
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Hamilton, Steven P.; Evans, Thomas M.; Davidson, Gregory G.; Johnson, Seth R.; Pandya, Tara M.; Godfrey, Andrew T.
2016-03-18
In this paper we describe the reactor physics simulation capabilities of the insilico code. A description of the various capabilities of the code is provided, including detailed discussion of the geometry, meshing, cross section processing, and neutron transport options. Numerical results demonstrate that the insilico SPN solver with pin-homogenized cross section generation is capable of delivering highly accurate full-core simulation of various PWR problems. Comparison to both Monte Carlo calculations and measured plant data is provided.
Detailed photonuclear cross-section calculations and astrophysical applications
Gardner, D.G.; Gardner, M.A.; Hoff, R.W.
1989-06-15
We have investigated the role of an isomeric state and its coupling to the ground state (g.s.) via photons and neutron inelastic scattering in a stellar environment by making detailed photonuclear and neutron cross-section calculations for /sup 176/Lu and /sup 210/Bi. In the case of /sup 176/Lu, the g.s. would function as an excellent galactic slow- (s-) process chronometer were it not for the 3.7-h isomer at 123 keV. Our calculations predicted much larger photon cross sections for production of the isomer, as well as a lower threshold, than had been assumed based on earlier measurements. These two factors combine to indicate that an enormous correction, a factor of 10/sup 7/, must be applied to shorten the current estimate of the half-life against photoexcitation of /sup 176/Lu as a function of temperature. This severely limits the use of /sup 176/Lu as a stellar chronometer and indicates a significantly lower temperature at which the two states reach thermal equilibrium. For /sup 210/Bi, our preliminary calculations of the production and destruction of the 3 /times/ 10/sup 6/ y isomeric state by neutrons and photons suggest that the /sup 210/Bi isomer may not be destroyed by photons as rapidly as assumed in certain stellar environments. This leads to an alternate production path of /sup 207/Pb and significantly affects presently interpreted lead isotopic abundances. We have been able to make such detailed nuclear cross-section calculations using: modern statistical-model codes of the Hauser-Feshbach type, with complete conservation of angular momentum and parity; reliable systematics of the input parameters required by these codes, including knowledge of the absolute gamma-ray strength-functions for E1, M1, and E2 transitions; and codes developed to compute large, discrete, nuclear level sets, their associated gamma-ray branchings, and the presence and location of isomeric states. 7 refs., 2 figs.
Calculations of pair production by Monte Carlo methods
Bottcher, C.; Strayer, M.R.
1991-01-01
We describe some of the technical design issues associated with the production of particle-antiparticle pairs in very large accelerators. To answer these questions requires extensive calculation of Feynman diagrams, in effect multi-dimensional integrals, which we evaluate by Monte Carlo methods on a variety of supercomputers. We present some portable algorithms for generating random numbers on vector and parallel architecture machines. 12 refs., 14 figs.
First Principles Calculations and NMR Spectroscopy of Electrode Materials |
Broader source: Energy.gov (indexed) [DOE]
Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon es054_2011_ceder_o.pdf More Documents & Publications Vehicle Technologies Office Merit Review 2014: First Principles Calculations and NMR Spectroscopy of Electrode Materials FY 2011 Annual Progress Report for Energy Storage R&D FY 2012 Annual Progress Report for Energy Storage R&D
Application of nuclear models to neutron nuclear cross section calculations
Young, P.G.
1982-01-01
Nuclear theory is used increasingly to supplement and extend the nuclear data base that is available for applied studies. Areas where theoretical calculations are most important include the determination of neutron cross sections for unstable fission products and transactinide nuclei in fission reactor or nuclear waste calculations and for meeting the extensive dosimetry, activation, and neutronic data needs associated with fusion reactor development, especially for neutron energies above 14 MeV. Considerable progress has been made in the use of nuclear models for data evaluation and, particularly, in the methods used to derive physically meaningful parameters for model calculations. Theoretical studies frequently involve use of spherical and deformed optical models, Hauser-Feshbach statistical theory, preequilibrium theory, direct-reaction theory, and often make use of gamma-ray strength function models and phenomenological (or microscopic) level density prescriptions. The development, application, and limitations of nuclear models for data evaluation are discussed, with emphasis on the 0.1 to 50 MeV energy range. (91 references).
Carcass Functions in Variational Calculations for Few-Body Systems
Donchev, A.G.; Kalachev, S.A.; Kolesnikov, N.N.; Tarasov, V.I.
2004-12-01
For variational calculations of molecular and nuclear systems involving a few particles, it is proposed to use carcass basis functions that generalize exponential and Gaussian trial functions. It is shown that the matrix elements of the Hamiltonian are expressed in a closed form for a Coulomb potential, as well as for other popular particle-interaction potentials. The use of such carcass functions in two-center Coulomb problems reduces, in relation to other methods, the number of terms in a variational expansion by a few orders of magnitude at a commensurate or even higher accuracy. The efficiency of the method is illustrated by calculations of the three-particle Coulomb systems {mu}{mu}e, ppe, dde, and tte and the four-particle molecular systems H{sub 2} and HeH{sup +} of various isotopic composition. By considering the example of the {sub {lambda}}{sup 9}Be hypernucleus, it is shown that the proposed method can be used in calculating nuclear systems as well.
Criticality calculations with MCNP{sup TM}: A primer
Mendius, P.W.; Harmon, C.D. II; Busch, R.D.; Briesmeister, J.F.; Forster, R.A.
1994-08-01
The purpose of this Primer is to assist the nuclear criticality safety analyst to perform computer calculations using the Monte Carlo code MCNP. Because of the closure of many experimental facilities, reliance on computer simulation is increasing. Often the analyst has little experience with specific codes available at his/her facility. This Primer helps the analyst understand and use the MCNP Monte Carlo code for nuclear criticality analyses. It assumes no knowledge of or particular experience with Monte Carlo codes in general or with MCNP in particular. The document begins with a Quickstart chapter that introduces the basic concepts of using MCNP. The following chapters expand on those ideas, presenting a range of problems from simple cylinders to 3-dimensional lattices for calculating keff confidence intervals. Input files and results for all problems are included. The Primer can be used alone, but its best use is in conjunction with the MCNP4A manual. After completing the Primer, a criticality analyst should be capable of performing and understanding a majority of the calculations that will arise in the field of nuclear criticality safety.
Materials Databases Infrastructure Constructed by First Principles Calculations: A Review
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Lin, Lianshan
2015-10-13
The First Principles calculations, especially the calculation based on High-Throughput Density Functional Theory, have been widely accepted as the major tools in atom scale materials design. The emerging super computers, along with the powerful First Principles calculations, have accumulated hundreds of thousands of crystal and compound records. The exponential growing of computational materials information urges the development of the materials databases, which not only provide unlimited storage for the daily increasing data, but still keep the efficiency in data storage, management, query, presentation and manipulation. This review covers the most cutting edge materials databases in materials design, and their hotmoreÂ Â» applications such as in fuel cells. By comparing the advantages and drawbacks of these high-throughput First Principles materials databases, the optimized computational framework can be identified to fit the needs of fuel cell applications. The further development of high-throughput DFT materials database, which in essence accelerates the materials innovation, is discussed in the summary as well.Â«Â less
SNS Sample Activation Calculator Flux Recommendations and Validation
McClanahan, Tucker C.; Gallmeier, Franz X.; Iverson, Erik B.; Lu, Wei
2015-02-01
The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) uses the Sample Activation Calculator (SAC) to calculate the activation of a sample after the sample has been exposed to the neutron beam in one of the SNS beamlines. The SAC webpage takes user inputs (choice of beamline, the mass, composition and area of the sample, irradiation time, decay time, etc.) and calculates the activation for the sample. In recent years, the SAC has been incorporated into the user proposal and sample handling process, and instrument teams and users have noticed discrepancies in the predicted activation of their samples. The Neutronics Analysis Team validated SAC by performing measurements on select beamlines and confirmed the discrepancies seen by the instrument teams and users. The conclusions were that the discrepancies were a result of a combination of faulty neutron flux spectra for the instruments, improper inputs supplied by SAC (1.12), and a mishandling of cross section data in the Sample Activation Program for Easy Use (SAPEU) (1.1.2). This report focuses on the conclusion that the SAPEU (1.1.2) beamline neutron flux spectra have errors and are a significant contributor to the activation discrepancies. The results of the analysis of the SAPEU (1.1.2) flux spectra for all beamlines will be discussed in detail. The recommendations for the implementation of improved neutron flux spectra in SAPEU (1.1.3) are also discussed.
Calculated fission-fragment yield systematics in the region 74
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
MÃ¶ller, Peter; Randrup, JÃ¸rgen
2015-04-01
Background: In the seminal experiment by Schmidt et al. [Nucl. Phys. A 665, 221 (2000)] in which fission-fragment charge distributions were obtained for 70 nuclides, asymmetric distributions were seen above nucleon number A â‰ˆ 226 and symmetric ones below. Because asymmetric fission had often loosely been explained as a preference for the nucleus to always exploit the extra binding of fragments near Â¹Â³Â²Sn it was assumed that all systems below A â‰ˆ 226 would fission symmetrically because available isotopes do not have a proton-to-neutron Z/N ratio that allows division into fragments near Â¹Â³Â²Sn. But the finding by Andreyev et al.moreÂ Â»[Phys. Rev. Lett. 105, 252502 (2010)] did not conform to this expectation because the compound system Â¹â¸â°Hg was shown to fission asymmetrically. It was suggested that this was a new type of asymmetric fission, because no strong shell effects occur for any possible fragment division. Purpose: We calculate a reference database for fission-fragment mass yields for a large region of the nuclear chart comprising 987 nuclides. A particular aim is to establish whether Â¹â¸â°Hg is part of a contiguous region of asymmetric fission, and if so, its extent, or if not, in contrast to the actinides, there are scattered smaller groups of nuclei that fission asymmetrically in this area of the nuclear chart. Methods: We use the by now well benchmarked Brownian shape-motion method and perform random walks on the previously calculated five-dimensional potential-energy surfaces. The calculated shell corrections are damped out with energy according to a prescription developed earlier. Results: We have obtained a theoretical reference database of fission-fragment mass yields for 987 nuclides. These results show an extended region of asymmetric fission with approximate extension 74 â‰¤ Z â‰¤ 85 and 100 â‰¤ N â‰¤ 120. The calculated yields are highly variable. We show 20 representative plots of these variable features and summarize the main aspects of our results in terms of â€œnuclear-chartâ€ plots showing calculated degrees of asymmetry versus N and Z. Conclusions: Experimental data in this region are rare: only ten or so yield distributions have been measured, some with very limited statistics. We agree with several measurements with higher statistics. Regions where there might be differences between our calculated results and measurements lie near the calculated transition line between symmetric and asymmetric fission. To draw more definite conclusions about the accuracy of the present implementation of the Brownian shape-motion approach in this region experimental data, with reliable statistics, for a fair number of suitably located additional nuclides are clearly needed. Because the nuclear potential-energy structure is so different in this region compared to the actinide region, additional experimental data together with fission theory studies that incorporate additional, dynamical aspects should provide much new insight.Â«Â less
Accelerating molecular property calculations with nonorthonormal Krylov space methods
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.; Kwon, Jake
2016-05-03
Here, we formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remainmoreÂ Â» small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.Â«Â less
High-accuracy coupled cluster calculations of atomic properties
Borschevsky, A.; Yakobi, H.; Eliav, E.; Kaldor, U.
2015-01-22
The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm{sup âˆ’1}, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues.
Uncertainty quantification in lattice QCD calculations for nuclear physics
Beane, Silas R.; Detmold, William; Orginos, Kostas; Savage, Martin J.
2015-02-05
The numerical technique of Lattice QCD holds the promise of connecting the nuclear forces, nuclei, the spectrum and structure of hadrons, and the properties of matter under extreme conditions with the underlying theory of the strong interactions, quantum chromodynamics. A distinguishing, and thus far unique, feature of this formulation is that all of the associated uncertainties, both statistical and systematic can, in principle, be systematically reduced to any desired precision with sufficient computational and human resources. As a result, we review the sources of uncertainty inherent in Lattice QCD calculations for nuclear physics, and discuss how each is quantified in current efforts.
Adaptations in Electronic Structure Calculations in Heterogeneous Environments
Talamudupula, Sai
2011-11-29
Modern quantum chemistry deals with electronic structure calculations of unprecedented complexity and accuracy. They demand full power of high-performance computing and must be in tune with the given architecture for superior e#14;ciency. To make such applications resourceaware, it is desirable to enable their static and dynamic adaptations using some external software (middleware), which may monitor both system availability and application needs, rather than mix science with system-related calls inside the application. The present work investigates scienti#12;c application interlinking with middleware based on the example of the computational chemistry package GAMESS and middleware NICAN. The existing synchronous model is limited by the possible delays due to the middleware processing time under the sustainable runtime system conditions. Proposed asynchronous and hybrid models aim at overcoming this limitation. When linked with NICAN, the fragment molecular orbital (FMO) method is capable of adapting statically and dynamically its fragment scheduling policy based on the computing platform conditions. Signi#12;cant execution time and throughput gains have been obtained due to such static adaptations when the compute nodes have very di#11;erent core counts. Dynamic adaptations are based on the main memory availability at run time. NICAN prompts FMO to postpone scheduling certain fragments, if there is not enough memory for their immediate execution. Hence, FMO may be able to complete the calculations whereas without such adaptations it aborts.
Efficient Execution of Electronic Structure Calculations on SMP Clusters
Nurzhan Ustemirov
2006-05-01
Applications augmented with adaptive capabilities are becoming common in parallel computing environments. For large-scale scientific applications, dynamic adjustments to a computationally-intensive part may lead to a large pay-off in facilitating efficient execution of the entire application while aiming at avoiding resource contention. Application-specific knowledge, often best revealed during the run-time, is required to initiate and time these adjustments. In particular, General Atomic and Molecular Electronic Structure System (GAMESS) is a program for ab initio quantum chemistry that places significant demands on the high-performance computing platforms. Certain electronic structure calculations are characterized by high consumption of a particular resource, such as CPU, main memory, or disk I/O. This may lead to resource contention among concurrent GAMESS jobs and other programs in the dynamically changing environment. Thus, it is desirable to improve GAMESS calculations by means of dynamic adaptations. In this thesis, we show how an application- or algorithm-specific knowledge may play a significant role in achieving this goal. The choice of implementation is facilitated by a module-driven middleware easily integrated with GAMESS that assesses resource consumption and invokes GAMESS adaptations to the system environment. We show that the throughput of GAMESS jobs may be improved greatly as a result of such adaptations.
ORBIT : BEAM DYNAMICS CALCULATIONS FOR HIGH - INTENSITY RINGS.
HOLMES,J.A.; DANILOV,V.; GALAMBOS,J.; SHISHLO,A.; COUSINEAU,S.; CHOU,W.; MICHELOTTI,L.; OSTIGUY,F.; WEI,J.
2002-06-03
We are developing a computer code, ORBIT, specifically for beam dynamics calculations in high-intensity rings. Our approach allows detailed simulation of realistic accelerator problems. ORBIT is a particle-in-cell tracking code that transports bunches of interacting particles through a series of nodes representing elements, effects, or diagnostics that occur in the accelerator lattice. At present, ORBIT contains detailed models for strip-foil injection including painting and foil scattering; rf focusing and acceleration; transport through various magnetic elements; longitudinal and transverse impedances; longitudinal, transverse, and three-dimensional space charge forces; collimation and limiting apertures; and the calculation of many useful diagnostic quantities. ORBIT is an object-oriented code, written in C++ and utilizing a scripting interface for the convenience of the user. Ongoing improvements include the addition of a library of accelerator maps, BEAMLINE/MXYZPTLK the introduction of a treatment magnet errors and fringe fields; the conversion of the scripting interface to the standard scripting language, Python; and the parallelization of the computations using MPI. The ORBIT code is an open source, powerful, and convenient tool for studying beam dynamics in high-intensity rings.
Numeric spectral radiation hydrodynamic calculations of supernova shock breakouts
Sapir, Nir; Halbertal, Dorri
2014-12-01
We present here an efficient numerical scheme for solving the non-relativistic one-dimensional radiation-hydrodynamics equations including inelastic Compton scattering, which is not included in most codes and is crucial for solving problems such as shock breakout. The devised code is applied to the problems of a steady-state planar radiation mediated shock (RMS) and RMS breakout from a stellar envelope. The results are in agreement with those of a previous work on shock breakout, in which Compton equilibrium between matter and radiation was assumed and the 'effective photon' approximation was used to describe the radiation spectrum. In particular, we show that the luminosity and its temporal dependence, the peak temperature at breakout, and the universal shape of the spectral fluence derived in this earlier work are all accurate. Although there is a discrepancy between the spectral calculations and the effective photon approximation due to the inaccuracy of the effective photon approximation estimate of the effective photon production rate, which grows with lower densities and higher velocities, the difference in peak temperature reaches only 30% for the most discrepant cases of fast shocks in blue supergiants. The presented model is exemplified by calculations for supernova 1987A, showing the detailed evolution of the burst spectrum. The incompatibility of the stellar envelope shock breakout model results with observed properties of X-ray flashes (XRFs) and the discrepancy between the predicted and observed rates of XRFs remain unexplained.
SCALE Continuous-Energy Eigenvalue Sensitivity Coefficient Calculations
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Perfetti, Christopher M.; Rearden, Bradley T.; Martin, William R.
2016-02-25
Sensitivity coefficients describe the fractional change in a system response that is induced by changes to system parameters and nuclear data. The Tools for Sensitivity and UNcertainty Analysis Methodology Implementation (TSUNAMI) code within the SCALE code system makes use of eigenvalue sensitivity coefficients for an extensive number of criticality safety applications, including quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different critical systems, and guiding nuclear data adjustment studies. The need to model geometrically complex systems with improved fidelity and the desire to extend TSUNAMI analysis to advanced applications has motivated the developmentmoreÂ Â» of a methodology for calculating sensitivity coefficients in continuous-energy (CE) Monte Carlo applications. The Contributon-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) and Iterated Fission Probability (IFP) eigenvalue sensitivity methods were recently implemented in the CE-KENO framework of the SCALE code system to enable TSUNAMI-3D to perform eigenvalue sensitivity calculations using continuous-energy Monte Carlo methods. This work provides a detailed description of the theory behind the CLUTCH method and describes in detail its implementation. This work explores the improvements in eigenvalue sensitivity coefficient accuracy that can be gained through the use of continuous-energy sensitivity methods and also compares several sensitivity methods in terms of computational efficiency and memory requirements.Â«Â less
Recent Developments in No-Core Shell-Model Calculations
Navratil, P; Quaglioni, S; Stetcu, I; Barrett, B R
2009-03-20
We present an overview of recent results and developments of the no-core shell model (NCSM), an ab initio approach to the nuclear many-body problem for light nuclei. In this aproach, we start from realistic two-nucleon or two- plus three-nucleon interactions. Many-body calculations are performed using a finite harmonic-oscillator (HO) basis. To facilitate convergence for realistic inter-nucleon interactions that generate strong short-range correlations, we derive effective interactions by unitary transformations that are tailored to the HO basis truncation. For soft realistic interactions this might not be necessary. If that is the case, the NCSM calculations are variational. In either case, the ab initio NCSM preserves translational invariance of the nuclear many-body problem. In this review, we, in particular, highlight results obtained with the chiral two- plus three-nucleon interactions. We discuss efforts to extend the applicability of the NCSM to heavier nuclei and larger model spaces using importance-truncation schemes and/or use of effective interactions with a core. We outline an extension of the ab initio NCSM to the description of nuclear reactions by the resonating group method technique. A future direction of the approach, the ab initio NCSM with continuum, which will provide a complete description of nuclei as open systems with coupling of bound and continuum states is given in the concluding part of the review.
SIMPLE TRANSIENT CALCULATIONS OF CELL FLAMMABLE GAS CONCENTRATIONS
, J; David Allison , D; John Mccord, J
2009-05-06
The Saltstone Facility at Savannah River Site (SRS) mixes low-level radiological liquid waste with grout for permanent disposal as cement in vault cells. The grout mixture is poured into each cell in approximately 17 batches (8 to 10 hours duration). The grout mixture contains ten flammable gases of concern that are released from the mixture into the cell. Prior to operations, simple parametric transient calculations were performed to develop batch parameters (including schedule of batch pours) to support operational efficiency while ensuring that a flammable gas mixture does not develop in the cell vapor space. The analysis demonstrated that a nonflammable vapor space environment can be achieved, with workable operational constraints, without crediting the ventilation flow as a safety system control. Isopar L was identified as the primary flammable gas of concern. The transient calculations balanced inflows of the flammable gases into the vapor space with credited outflows of diurnal breathing through vent holes and displacement from new grout pours and gases generated. Other important features of the analyses included identifying conditions that inhibited a well-mixed vapor space, the expected frequency and duration of such conditions, and the estimated level of stratification that could develop.
WHAM: Simplified tool for calculating water heater energy use
Lutz, J.D.; Whitehead, C.D.; Lekov, A.B.; Rosenquist, G.J.; Winiarski, D.W.
1999-07-01
Water heating comprises a significant portion of residential energy consumption--17% in the US, according to the residential energy consumption survey (RECS) (EIA 1995). For such a significant energy end use, energy analysts need a method to quickly and reliably assess current and future energy requirements for a variety of conservation policies and programs. To fill this need, the water heater analysis model (WHAM) was developed as a simple energy equation that accounts for different operating conditions and water heater characteristics when calculating energy consumption. The results of WHAM are compared to the results of detailed water heater simulation programs and show a high level of accuracy in estimating energy consumption. WHAM energy calculations are based on assumptions that account for a variety of field conditions and water heater types. By including seven parameters--recovery efficiency (RE), standby heat loss coefficient (UA), rated input power (Pon), average daily hot water draw volume, inlet water temperature, thermostat setting, and air temperature around the water heater--WHAM provides an accurate estimate of energy consumption in the majority of cases.
Calculation of a BWR partial ATWS using RAMONA-3B
Garber, D.I.; Diamond, D.J.; Cheng, H.S.
1982-01-01
The RAMONA-3B code has been used to simulate a boiling water reactor (BWR) transient initiated by the closure of the main steam line isolation valves in which all the control rods in one-half the core fail to scram after reactor trip. The modeling of the nuclear steam supply system included three-dimensional neutron kinetics and parallel hydraulic channels (including a bypass channel). The transient is characterized by an initial pressure spike and then by oscillations in the pressure due to the opening and closing of relief valves. These oscillations in turn affect all thermohydraulic properties in the vessel. The simulation was continued for 7 minutes of reactor time at which point boron began to accumulate in the core. The calculation demonstrates the importance of using three-dimensional neutron kinetics in conjunction with the modeling of the nuclear steam supply system for this type of transient. RAMONA-3B is unique in its ability to do this type of calculation.
Improved initial guess for minimum energy path calculations
Smidstrup, Søren; Pedersen, Andreas; Stokbro, Kurt
2014-06-07
A method is presented for generating a good initial guess of a transition path between given initial and final states of a system without evaluation of the energy. An objective function surface is constructed using an interpolation of pairwise distances at each discretization point along the path and the nudged elastic band method then used to find an optimal path on this image dependent pair potential (IDPP) surface. This provides an initial path for the more computationally intensive calculations of a minimum energy path on an energy surface obtained, for example, by ab initio or density functional theory. The optimal path on the IDPP surface is significantly closer to a minimum energy path than a linear interpolation of the Cartesian coordinates and, therefore, reduces the number of iterations needed to reach convergence and averts divergence in the electronic structure calculations when atoms are brought too close to each other in the initial path. The method is illustrated with three examples: (1) rotation of a methyl group in an ethane molecule, (2) an exchange of atoms in an island on a crystal surface, and (3) an exchange of two Si-atoms in amorphous silicon. In all three cases, the computational effort in finding the minimum energy path with DFT was reduced by a factor ranging from 50% to an order of magnitude by using an IDPP path as the initial path. The time required for parallel computations was reduced even more because of load imbalance when linear interpolation of Cartesian coordinates was used.
Microscopic Calculation of 240Pu Scission with a Finite-Range...
Office of Scientific and Technical Information (OSTI)
The hot-scission line is identified in the quadrupole-octupole-moment coordinate space. Fission-fragment shapes are extracted from the calculations. A benchmark calculation for ...
Rossi alpha Measurements and Calculations for HEU/Pb Core (Technical...
Office of Scientific and Technical Information (OSTI)
Rossi alpha Measurements and Calculations for HEUPb Core Citation Details In-Document Search Title: Rossi alpha Measurements and Calculations for HEUPb Core Rossi alpha ...
Rossi alpha Measurements and Calculations for HEU/Pb Core (Technical...
Office of Scientific and Technical Information (OSTI)
Rossi alpha Measurements and Calculations for HEUPb Core Citation Details In-Document Search Title: Rossi alpha Measurements and Calculations for HEUPb Core You are accessing ...
Moeller, M. P.; Urbanik, II, T.; Desrosiers, A. E.
1982-03-01
This paper describes the methodology and application of the computer model CLEAR (Calculates Logical Evacuation And Response) which estimates the time required for a specific population density and distribution to evacuate an area using a specific transportation network. The CLEAR model simulates vehicle departure and movement on a transportation network according to the conditions and consequences of traffic flow. These include handling vehicles at intersecting road segments, calculating the velocity of travel on a road segment as a function of its vehicle density, and accounting for the delay of vehicles in traffic queues. The program also models the distribution of times required by individuals to prepare for an evacuation. In order to test its accuracy, the CLEAR model was used to estimate evacuatlon tlmes for the emergency planning zone surrounding the Beaver Valley Nuclear Power Plant. The Beaver Valley site was selected because evacuation time estimates had previously been prepared by the licensee, Duquesne Light, as well as by the Federal Emergency Management Agency and the Pennsylvania Emergency Management Agency. A lack of documentation prevented a detailed comparison of the estimates based on the CLEAR model and those obtained by Duquesne Light. However, the CLEAR model results compared favorably with the estimates prepared by the other two agencies.
Variational perturbation theory and nonperturbative calculations in QCD
Solovtsova, O. P.
2013-10-15
A nonperturbative approach based on the variational perturbation theory in quantum chromodynamics is developed. The variational series is different from the conventional perturbative expansion and can be used to go beyond the weak-coupling regime. The approach suggested takes into account the summation of threshold singularities and the involvement of nonperturbative light quark masses. Phenomenological applications of this approach to describe physical quantities connected with the hadronic {tau}-decay data: the R{sub {tau}} ratio, the light-quark Adler function, and the smeared R{sub {Delta}} function are presented. The description of examined quantities includes an infrared region and, therefore, they cannot be directly calculated within the standard perturbation theory. It is shown that in spite of this fact the approach suggested gives a rather good result for these quantities down to the lowest energy scale.
Monte Carlo prompt dose calculations for the National Ingition Facility
Latkowski, J.F.; Phillips, T.W.
1997-01-01
During peak operation, the National Ignition Facility (NIF) will conduct as many as 600 experiments per year and attain deuterium- tritium fusion yields as high as 1200 MJ/yr. The radiation effective dose equivalent (EDE) to workers is limited to an average of 03 mSv/yr (30 mrem/yr) in occupied areas of the facility. Laboratory personnel determined located outside the facility will receive EDEs <= 0.5 mSv/yr (<= 50 mrem/yr). The total annual occupational EDE for the facility will be maintained at <= 0.1 person-Sv/yr (<= 10 person- rem/yr). To ensure that prompt EDEs meet these limits, three- dimensional Monte Carlo calculations have been completed.
Calculation of TMD Evolution for Transverse Single Spin Asymmetry Measurements
Mert Aybat, Ted Rogers, Alexey Prokudin
2012-06-01
In this letter, we show that it is necessary to include the full treatment of QCD evolution of Transverse Momentum Dependent parton densities to explain discrepancies between HERMES data and recent COMPASS data on a proton target for the Sivers transverse single spin asymmetry in Semi-Inclusive Deep Inelastic Scattering (SIDIS). Calculations based on existing fits to TMDs in SIDIS, and including evolution within the Collins-Soper-Sterman with properly defined TMD PDFs are shown to provide a good explanation for the discrepancy. The non-perturbative input needed for the implementation of evolution is taken from earlier analyses of unpolarized Drell-Yan (DY) scattering at high energy. Its success in describing the Sivers function in SIDIS data at much lower energies is strong evidence in support of the unifying aspect of the QCD TMD-factorization formalism.
Criticality calculations with MCNP{trademark}: A primer
Harmon, C.D. II; Busch, R.D.; Briesmeister, J.F.; Forster, R.A.
1994-06-06
With the closure of many experimental facilities, the nuclear criticality safety analyst increasingly is required to rely on computer calculations to identify safe limits for the handling and storage of fissile materials. However, in many cases, the analyst has little experience with the specific codes available at his/her facility. This primer will help you, the analyst, understand and use the MCNP Monte Carlo code for nuclear criticality safety analyses. It assumes that you have a college education in a technical field. There is no assumption of familiarity with Monte Carlo codes in general or with MCNP in particular. Appendix A gives an introduction to Monte Carlo techniques. The primer is designed to teach by example, with each example illustrating two or three features of MCNP that are useful in criticality analyses. Beginning with a Quickstart chapter, the primer gives an overview of the basic requirements for MCNP input and allows you to run a simple criticality problem with MCNP. This chapter is not designed to explain either the input or the MCNP options in detail; but rather it introduces basic concepts that are further explained in following chapters. Each chapter begins with a list of basic objectives that identify the goal of the chapter, and a list of the individual MCNP features that are covered in detail in the unique chapter example problems. It is expected that on completion of the primer you will be comfortable using MCNP in criticality calculations and will be capable of handling 80 to 90 percent of the situations that normally arise in a facility. The primer provides a set of basic input files that you can selectively modify to fit the particular problem at hand.
Density Functional Theory Calculations of Mass Transport in UO2
Andersson, Anders D.; Dorado, Boris; Uberuaga, Blas P.; Stanek, Christopher R.
2012-06-26
In this talk we present results of density functional theory (DFT) calculations of U, O and fission gas diffusion in UO{sub 2}. These processes all impact nuclear fuel performance. For example, the formation and retention of fission gas bubbles induce fuel swelling, which leads to mechanical interaction with the clad thereby increasing the probability for clad breach. Alternatively, fission gas can be released from the fuel to the plenum, which increases the pressure on the clad walls and decreases the gap thermal conductivity. The evolution of fuel microstructure features is strongly coupled to diffusion of U vacancies. Since both U and fission gas transport rates vary strongly with the O stoichiometry, it is also important to understand O diffusion. In order to better understand bulk Xe behavior in UO{sub 2{+-}x} we first calculate the relevant activation energies using DFT techniques. By analyzing a combination of Xe solution thermodynamics, migration barriers and the interaction of dissolved Xe atoms with U, we demonstrate that Xe diffusion predominantly occurs via a vacancy-mediated mechanism. Since Xe transport is closely related to diffusion of U vacancies, we have also studied the activation energy for this process. In order to explain the low value of 2.4 eV found for U migration from independent damage experiments (not thermal equilibrium) the presence of vacancy clusters must be included in the analysis. Next we investigate species transport on the (111) UO{sub 2} surface, which is motivated by the formation of small voids partially filled with fission gas atoms (bubbles) in UO{sub 2} under irradiation. Surface diffusion could be the rate-limiting step for diffusion of such bubbles, which is an alternative mechanism for mass transport in these materials. As expected, the activation energy for surface diffusion is significantly lower than for bulk transport. These results are further discussed in terms of engineering-scale fission gas release models. Finally, oxidation of UO{sub 2} and the importance of cluster formation for understanding thermodynamic and kinetic properties of UO{sub 2+x} are investigated.
A new endwall model for axial compressor throughflow calculations
Dunham, J.
1995-10-01
It is well recognized that the endwall regions of a compressor--in which the annulus wall flow interacts with the mainstream flow--have a major influence on its efficiency and surge margin. Despite many attempts over the years to predict the very complex flow patterns in the endwall regions, current compressor design methods still rely largely on empirical estimates of the aerodynamic losses and flow angle deviations in these regions. This paper describes a new phenomenological model of the key endwall flow phenomena treated in a circumferentially averaged way. It starts from Hirsch and de Ruyck`s annulus wall boundary layer approach, but makes some important changes. The secondary vorticities arising from passage secondary flows and from tip clearance flows are calculated. Then the radial interchanges of momentum, energy, and entropy arising from both diffusion and convection are estimated. The model is incorporated into a streamline curvature program. The empirical blade force defect terms in the boundary layers are selected from cascade data. The effectiveness of the method is illustrated by comparing the predictions with experimental results on both low-speed and high-speed multistage compressors. It is found that the radial variation of flow parameters is quite well predicted, and so is the overall performance, except when significant endwall stall occurs.
BENCHMARKING UPGRADED HOTSPOT DOSE CALCULATIONS AGAINST MACCS2 RESULTS
Brotherton, Kevin
2009-04-30
The radiological consequence of interest for a documented safety analysis (DSA) is the centerline Total Effective Dose Equivalent (TEDE) incurred by the Maximally Exposed Offsite Individual (MOI) evaluated at the 95th percentile consequence level. An upgraded version of HotSpot (Version 2.07) has been developed with the capabilities to read site meteorological data and perform the necessary statistical calculations to determine the 95th percentile consequence result. These capabilities should allow HotSpot to join MACCS2 (Version 1.13.1) and GENII (Version 1.485) as radiological consequence toolbox codes in the Department of Energy (DOE) Safety Software Central Registry. Using the same meteorological data file, scenarios involving a one curie release of {sup 239}Pu were modeled in both HotSpot and MACCS2. Several sets of release conditions were modeled, and the results compared. In each case, input parameter specifications for each code were chosen to match one another as much as the codes would allow. The results from the two codes are in excellent agreement. Slight differences observed in results are explained by algorithm differences.
Calculation of Reactive-evaporation Rates of Chromia
Holcomb, G.R.
2008-04-01
A methodology is developed to calculate Cr-evaporation rates from Cr2O3 with a flat planar geometry. Variables include temperature, total pressure, gas velocity, and gas composition. The methodology was applied to solid-oxide, fuel cell conditions for metallic interconnects and to advanced-steam turbines conditions. The high velocities and pressures of the advanced steam turbine led to evaporation predictions as high as 5.18 9 10-8 kg/m2/s of CrO2(OH)2(g) at 760 Â°C and 34.5 MPa. This is equivalent to 0.080 mm per year of solid Cr loss. Chromium evaporation is expected to be an important oxidation mechanism with the types of nickel-base alloys proposed for use above 650 Â°C in advanced-steam boilers and turbines. It is shown that laboratory experiments, with much lower steam velocities and usually much lower total pressure than found in advanced steam turbines, would best reproduce chromium-evaporation behavior with atmospheres that approach either O2 + H2O or air + H2O with 57% H2O.
Calculating the probability of injected carbon dioxide plumes encountering faults
Jordan, P.D.
2011-04-01
One of the main concerns of storage in saline aquifers is leakage via faults. In the early stages of site selection, site-specific fault coverages are often not available for these aquifers. This necessitates a method using available fault data to estimate the probability of injected carbon dioxide encountering and migrating up a fault. The probability of encounter can be calculated from areal fault density statistics from available data, and carbon dioxide plume dimensions from numerical simulation. Given a number of assumptions, the dimension of the plume perpendicular to a fault times the areal density of faults with offsets greater than some threshold of interest provides probability of the plume encountering such a fault. Application of this result to a previously planned large-scale pilot injection in the southern portion of the San Joaquin Basin yielded a 3% and 7% chance of the plume encountering a fully and half seal offsetting fault, respectively. Subsequently available data indicated a half seal-offsetting fault at a distance from the injection well that implied a 20% probability of encounter for a plume sufficiently large to reach it.
Dose Rate Calculation of TRU Metal Ingot in Pyroprocessing - 12202
Lee, Yoon Hee; Lee, Kunjai
2012-07-01
Spent fuel management has been a main problem to be solved for continuous utilization of nuclear energy. Spent fuel management policy of Korea is 'Wait and See'. It is focused on Pyro-process and SFR (Sodium-cooled Fast Reactor) for closed-fuel cycle research and development in Korea. For peaceful use of nuclear facilities, the proliferation resistance has to be proved. Proliferation resistance is one of key constraints in the deployment of advanced nuclear energy systems. Non-proliferation and safeguard issues have been strengthening internationally. Barriers to proliferation are that reduces desirability or attractiveness as an explosive and makes it difficult to gain access to the materials, or makes it difficult to misuse facilities and/or technologies for weapons applications. Barriers to proliferation are classified into intrinsic and extrinsic barriers. Intrinsic barrier is inherent quality of reactor materials or the fuel cycle that is built into the reactor design and operation such as material and technical barriers. As one of the intrinsic measures, the radiation from the material is considered significantly. Therefore the radiation of TRU metal ingot from the pyro-process was calculated using ORIGEN and MCNP code. (authors)
Dose Calculation Evolution for Internal Organ Irradiation in Humans
Jimenez V, Reina A.
2007-10-26
The International Commission of Radiation Units (ICRU) has established through the years, a discrimination system regarding the security levels on the prescription and administration of doses in radiation treatments (Radiotherapy, Brach therapy, Nuclear Medicine). The first level is concerned with the prescription and posterior assurance of dose administration to a point of interest (POI), commonly located at the geometrical center of the region to be treated. In this, the effects of radiation around that POI, is not a priority. The second level refers to the dose specifications in a particular plane inside the patient, mostly the middle plane of the lesion. The dose is calculated to all the structures in that plane regardless if they are tumor or healthy tissue. In this case, the dose is not represented by a point value, but by level curves called 'isodoses' as in a topographic map, so you can assure the level of doses to this particular plane, but it also leave with no information about how this values go thru adjacent planes. This is why the third level is referred to the volumetrical description of doses so these isodoses construct now a volume (named 'cloud') that give us better assurance about tissue irradiation around the volume of the lesion and its margin (sub clinical spread or microscopic illness). This work shows how this evolution has resulted, not only in healthy tissue protection improvement but in a rise of tumor control, quality of life, better treatment tolerance and minimum permanent secuelae.
WIPP Compliance Certification Application calculations parameters. Part 2: Parameter documentation
Howarth, S.M.
1997-11-14
The Waste Isolation Pilot Plant (WIPP) in southeast New Mexico has been studied as a transuranic waste repository for the past 23 years. During this time, an extensive site characterization, design, construction, and experimental program was completed, which provided in depth understanding of the dominant processes that are most likely to influence the containment of radionuclides for 10,000 years. Nearly 1,500 parameters were developed using information gathered from this program and were input to numerical models for WIPP Compliance Certification Application (CCA) Performance Assessment (PA) calculations. The CCA probability models require input parameters that are defined by a statistical distribution. Developing parameters begins with the assignment of an appropriate distribution type, which is dependent on the type, magnitude, and volume of data or information available. Parameter development may require interpretation or statistical analysis of raw data, combining raw data with literature values, scaling laboratory or field data to fit code grid mesh sizes, or other transformations. Documentation of parameter development is designed to answer two questions: What source information was used to develop this parameter? and Why was this particular data set/information used? Therefore, complete documentation requires integrating information from code sponsors, parameter task leaders, performance assessment analysts, and experimental principal investigators. This paper, Part 2 of 2 parts, contains a discussion of the WIPP CCA PA Parameter Tracking System, document traceability and retrievability, and lessons learned from related audits and reviews.
SCWR Once-Through Calculations for Transmutation and Cross Sections
ganda, francesco
2012-07-01
It is the purpose of this report to document the calculation of (1) the isotopic evolution and of (2) the 1-group cross sections as a function of burnup of the reference Super Critical Water Reactor (SCWR), in a format suitable for the Fuel Cycle Option Campaign Transmutation Data Library. The reference SCWR design was chosen to be that described in [McDonald, 2005]. Super Critical Water Reactors (SCWR) are intended to operate with super-critical water (i.e. H2O at a pressure above 22 MPa and a temperature above 373oC) as a cooling â€“ and possibly also moderating â€“ fluid. The main mission of the SCWR is to generate lower cost electricity, as compared to current standard Light Water Reactors (LWR). Because of the high operating pressure and temperature, SCWR feature a substantially higher thermal conversion efficiency than standard LWR â€“ i.e. about 45% versus 33%, mostly due to an increase in the exit water temperature from ~300oC to ~500oC â€“ potentially resulting in a lower cost of generated electricity. The coolant remains single phase throughout the reactor and the energy conversion system, thus eliminating the need for pressurizers, steam generators, steam separators and dryers, further potentially reducing the reactor construction capital cost. The SCWR concept presented here is based on existing LWR technology and on a large number of existing fossil-fired supercritical boilers. However, it was concluded in [McDonald, 2005], that: â€œBased on the results of this study, it appears that the reference SCWR design is not feasible.â€ This conclusion appears based on the strong sensitivity of the design to small deviations in nominal conditions leading to small effects having a potentially large impact on the peak cladding temperature of some fuel rods. â€œThis was considered a major feasibility issue for the SCWRâ€ [McDonald, 2005]. After a description of the reference SCWR design, the Keno V 3-D single assembly model used for this analysis, as well as the calculated results, are presented. Additionally, the follwing information, presented in the appendixes, is intended to provide enough guidance that a researcher repeating the same task in the future should be able to obtain a vector of nuclei and cross sections ready for insertion into the transmutation library without any need for further instructions: (1) Complete TRITON/KENO-V input used for the analysis; (2) Inputs and detailed description of the usage of the OPUS utility, used to postproces and to extract the nuclei concentrations for the transmutation library; (3) Inputs and detailed description of the usage of the XSECLIST utility, used to postproces and to extract the 1-group cross sections for the transmutation library; (4) Details of an ad-hoc utility program developed to sort the nuclei and cross sections for the transmutation library.
Simulated combined abnormal environment fire calculations for aviation impacts.
Brown, Alexander L.
2010-08-01
Aircraft impacts at flight speeds are relevant environments for aircraft safety studies. This type of environment pertains to normal environments such as wildlife impacts and rough landings, but also the abnormal environment that has more recently been evidenced in cases such as the Pentagon and World Trade Center events of September 11, 2001, and the FBI building impact in Austin. For more severe impacts, the environment is combined because it involves not just the structural mechanics, but also the release of the fuel and the subsequent fire. Impacts normally last on the order of milliseconds to seconds, whereas the fire dynamics may last for minutes to hours, or longer. This presents a serious challenge for physical models that employ discrete time stepping to model the dynamics with accuracy. Another challenge is that the capabilities to model the fire and structural impact are seldom found in a common simulation tool. Sandia National Labs maintains two codes under a common architecture that have been used to model the dynamics of aircraft impact and fire scenarios. Only recently have these codes been coupled directly to provide a fire prediction that is better informed on the basis of a detailed structural calculation. To enable this technology, several facilitating models are necessary, as is a methodology for determining and executing the transfer of information from the structural code to the fire code. A methodology has been developed and implemented. Previous test programs at the Sandia National Labs sled track provide unique data for the dynamic response of an aluminum tank of liquid water impacting a barricade at flight speeds. These data are used to validate the modeling effort, and suggest reasonable accuracy for the dispersion of a non-combustible fluid in an impact environment. The capability is also demonstrated with a notional impact of a fuel-filled container at flight speed. Both of these scenarios are used to evaluate numeric approximations, and help provide an understanding of the quantitative accuracy of the modeling methods.
A Framework for Lattice QCD Calculations on GPUs
Winter, Frank; Clark, M.A.; Edwards, Robert G.; Joo, Balint
2014-08-01
Computing platforms equipped with accelerators like GPUs have proven to provide great computational power. However, exploiting such platforms for existing scientific applications is not a trivial task. Current GPU programming frameworks such as CUDA C/C++ require low-level programming from the developer in order to achieve high performance code. As a result porting of applications to GPUs is typically limited to time-dominant algorithms and routines, leaving the remainder not accelerated which can open a serious Amdahl's law issue. The lattice QCD application Chroma allows to explore a different porting strategy. The layered structure of the software architecture logically separates the data-parallel from the application layer. The QCD Data-Parallel software layer provides data types and expressions with stencil-like operations suitable for lattice field theory and Chroma implements algorithms in terms of this high-level interface. Thus by porting the low-level layer one can effectively move the whole application in one swing to a different platform. The QDP-JIT/PTX library, the reimplementation of the low-level layer, provides a framework for lattice QCD calculations for the CUDA architecture. The complete software interface is supported and thus applications can be run unaltered on GPU-based parallel computers. This reimplementation was possible due to the availability of a JIT compiler (part of the NVIDIA Linux kernel driver) which translates an assembly-like language (PTX) to GPU code. The expression template technique is used to build PTX code generators and a software cache manages the GPU memory. This reimplementation allows us to deploy an efficient implementation of the full gauge-generation program with dynamical fermions on large-scale GPU-based machines such as Titan and Blue Waters which accelerates the algorithm by more than an order of magnitude.
Verification Of Energy Balance In The Ansys V5.4 Thermal Calculations
H. Marr; M.J. Anderson
2001-02-08
The objective of this calculation is to verify the energy balance of the thermal calculations analyzed by ANSYS Version (V) 5.4 solver (see Section 4). The scope of this calculation is limited to calculating the energy balance of a two-dimensional repository thermal representation using the temperatures obtained from ANSYS V5.4. The procedure, AP-3.124, Calculations (Ref. 3), and the Technical Work Plan for: Waste Package Design Description for LA (Ref. 2) are used to develop this calculation. The associated activity is the development of engineering evaluations to support the Licensing Application design activities.
The Multi-Step CADIS method for shutdown dose rate calculations and uncertainty propagation
Ibrahim, Ahmad M.; Peplow, Douglas E.; Grove, Robert E.; Peterson, Joshua L.; Johnson, Seth R.
2015-12-01
Shutdown dose rate (SDDR) analysis requires (a) a neutron transport calculation to estimate neutron flux fields, (b) an activation calculation to compute radionuclide inventories and associated photon sources, and (c) a photon transport calculation to estimate final SDDR. In some applications, accurate full-scale Monte Carlo (MC) SDDR simulations are needed for very large systems with massive amounts of shielding materials. However, these simulations are impractical because calculation of space- and energy-dependent neutron fluxes throughout the structural materials is needed to estimate distribution of radioisotopes causing the SDDR. Biasing the neutron MC calculation using an importance function is not simple because it is difficult to explicitly express the response function, which depends on subsequent computational steps. Furthermore, the typical SDDR calculations do not consider how uncertainties in MC neutron calculation impact SDDR uncertainty, even though MC neutron calculation uncertainties usually dominate SDDR uncertainty.
The Multi-Step CADIS method for shutdown dose rate calculations and uncertainty propagation
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Ibrahim, Ahmad M.; Peplow, Douglas E.; Grove, Robert E.; Peterson, Joshua L.; Johnson, Seth R.
2015-12-01
Shutdown dose rate (SDDR) analysis requires (a) a neutron transport calculation to estimate neutron flux fields, (b) an activation calculation to compute radionuclide inventories and associated photon sources, and (c) a photon transport calculation to estimate final SDDR. In some applications, accurate full-scale Monte Carlo (MC) SDDR simulations are needed for very large systems with massive amounts of shielding materials. However, these simulations are impractical because calculation of space- and energy-dependent neutron fluxes throughout the structural materials is needed to estimate distribution of radioisotopes causing the SDDR. Biasing the neutron MC calculation using an importance function is not simple becausemoreÂ Â» it is difficult to explicitly express the response function, which depends on subsequent computational steps. Furthermore, the typical SDDR calculations do not consider how uncertainties in MC neutron calculation impact SDDR uncertainty, even though MC neutron calculation uncertainties usually dominate SDDR uncertainty.Â«Â less
New Calculator Helps You Buy the Energy-Saving Vehicle of Your...
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Calculator Helps You Buy the Energy-Saving Vehicle of Your Dreams New Calculator Helps You ... to buy energy-efficient vehicles that save energy and money, protect the environment, ...
Alam, T.M.
1998-09-01
The influence of changes in the contracted Gaussian basis set used for ab initio calculations of nuclear magnetic resonance (NMR) phosphorous chemical shift anisotropy (CSA) tensors was investigated. The isotropic chemical shitl and chemical shift anisotropy were found to converge with increasing complexity of the basis set at the Hartree-Fock @IF) level. The addition of d polarization function on the phosphorous nucIei was found to have a major impact of the calculated chemical shi~ but diminished with increasing number of polarization fimctions. At least 2 d polarization fimctions are required for accurate calculations of the isotropic phosphorous chemical shift. The introduction of density fictional theory (DFT) techniques through tie use of hybrid B3LYP methods for the calculation of the phosphorous chemical shift tensor resulted in a poorer estimation of the NMR values, even though DFT techniques result in improved energy and force constant calculations. The convergence of the W parametem with increasing basis set complexity was also observed for the DFT calculations, but produced results with consistent large deviations from experiment. The use of a HF 6-31 l++G(242p) basis set represents a good compromise between accuracy of the simulation and the complexity of the calculation for future ab initio calculations of 31P NMR parameters in larger complexes.
CESP Tool 4.1: Energy Data Calculation and Summary Tool | Department of
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Energy 1: Energy Data Calculation and Summary Tool CESP Tool 4.1: Energy Data Calculation and Summary Tool CESP Tool 4.1: Energy Data Calculation and Summary Tool from the Step 4: Assess the Current Energy Profile, Guide to Community Energy Strategic Planning. File CESP Tool 4.1: Energy Data Calculation and Summary Tool More Documents & Publications ESPC ENABLE Request for Quote/Notice of Opportunity Template Better Buildings Quarterly Program Report Reporting Guidance for Federal Agency
Project W-320, 241-C-106 sluicing: Civil/structural calculations. Volume 1
Bailey, J.W.
1998-07-28
This supporting document has been prepared to make the FDNW civil/structural calculations for Project W-320 readily retrievable.
Project W-320, 241-C-106 sluicing: Piping calculations. Volume 5
Bailey, J.W.
1998-07-24
This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable.
Project W-320, 241-C-106 sluicing: Civil/structural calculations. Volume 8
Bailey, J.W.
1998-07-23
This supporting document has been prepared to make the FDNW civil/structural calculations for Project W-320 readily retrievable.
Project W-320, 241-C-106 sluicing: Piping calculations. Volume 3
Bailey, J.W.
1998-07-25
This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable.
Viscosity index calculated by program in GW-basic for personal computers
Anaya, C.; Bermudez, O. )
1988-12-26
A computer program has been developed to calculate the viscosity index of oils when viscosities at two temperatures are known.
Environment-based pin-power reconstruction method for homogeneous core calculations
Leroyer, H.; Brosselard, C.; Girardi, E.
2012-07-01
Core calculation schemes are usually based on a classical two-step approach associated with assembly and core calculations. During the first step, infinite lattice assemblies calculations relying on a fundamental mode approach are used to generate cross-sections libraries for PWRs core calculations. This fundamental mode hypothesis may be questioned when dealing with loading patterns involving several types of assemblies (UOX, MOX), burnable poisons, control rods and burn-up gradients. This paper proposes a calculation method able to take into account the heterogeneous environment of the assemblies when using homogeneous core calculations and an appropriate pin-power reconstruction. This methodology is applied to MOX assemblies, computed within an environment of UOX assemblies. The new environment-based pin-power reconstruction is then used on various clusters of 3x3 assemblies showing burn-up gradients and UOX/MOX interfaces, and compared to reference calculations performed with APOLLO-2. The results show that UOX/MOX interfaces are much better calculated with the environment-based calculation scheme when compared to the usual pin-power reconstruction method. The power peak is always better located and calculated with the environment-based pin-power reconstruction method on every cluster configuration studied. This study shows that taking into account the environment in transport calculations can significantly improve the pin-power reconstruction so far as it is consistent with the core loading pattern. (authors)
Jannik, Tim; Stagich, Brooke
2015-08-28
The U.S. Environmental Protection Agency (EPA) requested an external, independent verification study of their updated â€œPreliminary Remediation Goals for Radionuclidesâ€ (PRG) electronic calculator. The calculator provides PRGs for radionuclides that are used as a screening tool at Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) and Resource Conservation and Recovery Act (RCRA) sites. These risk-based PRGs establish concentration limits under specific exposure scenarios. The purpose of this verification study is to determine that the calculator has no inherit numerical problems with obtaining solutions as well as to ensure that the equations are programmed correctly. There are 167 equations used in the calculator. To verify the calculator, all equations for each of seven receptor types (resident, construction worker, outdoor and indoor worker, recreator, farmer, and composite worker) were hand calculated using the default parameters. The same four radionuclides (Am-241, Co-60, H-3, and Pu-238) were used for each calculation for consistency throughout.
Systematic calculation of electric dipole strength with Skyrme-HF plus RPA
Inakura, T.; Nakatsukasa, T.; Yabana, K.
2010-05-12
We undertake a systematic calculation on electric dipole responses of even-even nuclei for a wide mass region employing a fully self-consistent Hartree-Fock plus RPA approach. For an easy implementation of the fully self-consistent calculation, the finite amplitude method which we have proposed recently is employed. We calculate dipole responses in Cartesian mesh representation, which can deal with deformed nuclei but do not include pairing correlation. The systematic calculation has reached a mass Aapprox100 region. The calculated results show reasonable agreement for heavy nuclei while the average excitation energies are underestimated for light nuclei. We show a systematic comparison of calculated peak energies of giant dipole resonances, and the splitting of the peak energy with the ground state deformation.
Chambers, R.; Laats, E.T.
1981-01-01
A preliminary set of nine evaluation models (EMs) was added to the FRAPCON-1 computer code, which is used to calculate fuel rod behavior in a nuclear reactor during steady-state operation. The intent was to provide an audit code to be used in the United States Nuclear Regulatory Commission (NRC) licensing activities when calculations of conservative fuel rod temperatures are required. The EMs place conservatisms on the calculation of rod temperature by modifying the calculation of rod power history, fuel and cladding behavior models, and materials properties correlations. Three of the nine EMs provide either input or model specifications, or set the reference temperature for stored energy calculations. The remaining six EMs were intended to add thermal conservatism through model changes. To determine the relative influence of these six EMs upon fuel behavior calculations for commercial power reactors, a sensitivity study was conducted. That study is the subject of this paper.
HVAC Right-Sizing Part 1: Calculating Loads | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Right-Sizing Part 1: Calculating Loads HVAC Right-Sizing Part 1: Calculating Loads This webinar, presented by IBACOS (a Building America Research Team) will highlight the key criteria required to create accurate heating and cooling load calculations, following the guidelines of the Air Conditioning Contractors of America (ACCA) Manual J version 8 PDF icon webinar_hvac_calculatingloads_20110428.pdf More Documents & Publications 2014-08-28 Issuance: Energy Conservation Standards for Packaged
WPN 10-14: Calculation of Job Creation through DOE Recovery Act Funding |
Department of Energy : Calculation of Job Creation through DOE Recovery Act Funding WPN 10-14: Calculation of Job Creation through DOE Recovery Act Funding Archived 09/29/10, Superseded by WPN 10-14a Provides additional guidance to grantees on the methodology for calculating jobs created and retained through expenditure of grant funds received under the American Recovery and Reinvestment Act of 2009 (Recovery Act), and reporting that information to the Department of Energy (DOE). PDF icon
WPN 10-14a: Calculation of Job Creation through DOE Recovery Act Funding -
Updated | Department of Energy a: Calculation of Job Creation through DOE Recovery Act Funding - Updated WPN 10-14a: Calculation of Job Creation through DOE Recovery Act Funding - Updated Archived 09/30/15, ARRA Completion Provides additional guidance to grantees on the methodology for calculating jobs created and retained through expenditure of grant funds received under the American Recovery and Reinvestment Act of 2009 (Recovery Act), and reporting that information to the Department of
An Effective Method to Accurately Calculate the Phase Space Factors for Î² - Î² - Decay
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Neacsu, Andrei; Horoi, Mihai
2016-01-01
Accurate calculations of the electron phase space factors are necessary for reliable predictions of double-beta decay rates and for the analysis of the associated electron angular and energy distributions. We present an effective method to calculate these phase space factors that takes into account the distorted Coulomb field of the daughter nucleus, yet it allows one to easily calculate the phase space factors with good accuracy relative to the most exact methods available in the recent literature.
Performing three-dimensional neutral particle transport calculations on tera scale computers
Woodward, C S; Brown, P N; Chang, B; Dorr, M R; Hanebutte, U R
1999-01-12
A scalable, parallel code system to perform neutral particle transport calculations in three dimensions is presented. To utilize the hyper-cluster architecture of emerging tera scale computers, the parallel code successfully combines the MPI message passing and paradigms. The code's capabilities are demonstrated by a shielding calculation containing over 14 billion unknowns. This calculation was accomplished on the IBM SP ''ASCI-Blue-Pacific computer located at Lawrence Livermore National Laboratory (LLNL).
Ray tracing flux calculation for the small and wide angle x-ray scattering
Office of Scientific and Technical Information (OSTI)
diffraction station at the SESAME synchrotron radiation facility (Journal Article) | SciTech Connect Ray tracing flux calculation for the small and wide angle x-ray scattering diffraction station at the SESAME synchrotron radiation facility Citation Details In-Document Search Title: Ray tracing flux calculation for the small and wide angle x-ray scattering diffraction station at the SESAME synchrotron radiation facility The calculation for the optics of the synchrotron radiation small and
The Excited-state Spectrum of QCD through Lattice Gauge Theory Calculations
David Richards
2012-12-01
I describe recent progress at understanding the excited state spectrum of QCD through lattice gauge calculations. I begin by outlining the evolution of the lattice effort at JLab. I detail the impact of recent lattice calculations on the present and upcoming experimental programs, and in particular that of the 12 GeV upgrade of Jefferson Laboratory. I conclude with the prospect for future calculations.
Calculation of delayed-neutron energy spectra in a QRPA-Hauser-Feshbach
Office of Scientific and Technical Information (OSTI)
model (Journal Article) | SciTech Connect Calculation of delayed-neutron energy spectra in a QRPA-Hauser-Feshbach model Citation Details In-Document Search Title: Calculation of delayed-neutron energy spectra in a QRPA-Hauser-Feshbach model Theoretical {beta}-delayed-neutron spectra are calculated based on the Quasiparticle Random-Phase Approximation (QRPA) and the Hauser-Feshbach statistical model. Neutron emissions from an excited daughter nucleus after {beta} decay to the granddaughter
Calculation of nuclear reaction cross sections on excited nuclei with the
Office of Scientific and Technical Information (OSTI)
coupled-channels method (Journal Article) | SciTech Connect Calculation of nuclear reaction cross sections on excited nuclei with the coupled-channels method Citation Details In-Document Search Title: Calculation of nuclear reaction cross sections on excited nuclei with the coupled-channels method We calculate nuclear cross sections on excited nuclei in the fast neutron energy range. We partition the whole process into two contributions: the direct reaction part and the compound nuclear
Illustrative Calculation of Economics for Heat Pump and "Grid-Enabled"
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Water Heaters | Department of Energy Illustrative Calculation of Economics for Heat Pump and "Grid-Enabled" Water Heaters Illustrative Calculation of Economics for Heat Pump and "Grid-Enabled" Water Heaters PDF icon Rate discount calculation for DR WH.pdf More Documents & Publications Building America Technology Solutions for New and Existing Homes: Performance of a Heat Pump Water Heater in the Hot-Humid Climate, Windermere, Florida (Fact Sheet) Building America
Building America Webinar: HVAC Right-Sizing Part 1-Calculating Loads |
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Department of Energy HVAC Right-Sizing Part 1-Calculating Loads Building America Webinar: HVAC Right-Sizing Part 1-Calculating Loads During this webinar, Building America Research Team IBACOS highlighted the key criteria required to create accurate heating and cooling load calculations. Current industry rules of thumb, perceptions and barriers to right-sizing HVAC were also discussed. File webinar_hvac_calculatingloads_20110428.wmv More Documents & Publications HVAC Right-Sizing Part 1:
Microscopic Calculation of Fission Fragment Energies for the 239Pu(nth,f)
Office of Scientific and Technical Information (OSTI)
Reaction (Technical Report) | SciTech Connect Microscopic Calculation of Fission Fragment Energies for the 239Pu(nth,f) Reaction Citation Details In-Document Search Title: Microscopic Calculation of Fission Fragment Energies for the 239Pu(nth,f) Reaction We calculate the total kinetic and excitation energies of fragments produced in the thermal-induced fission of {sup 239}Pu. This result is a proof-of-principle demonstration for a microscopic approach to the calculation of fission-fragment
Dispersive calculation of complex Regge trajectories for the lightest f2 resonances and the K*(892)
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Carrasco, J. A.; Nebreda, J.; Pelaez, Jose R.; Szczepaniak, Adam P.
2015-08-11
A recently developed dispersive formalism is applied to calculate the Regge trajectories of the f2(1270), f2(1525) and K*(892) mesons.
Gauthier, J.H.; Zieman, N.B.; Miller, W.B.
1991-10-01
The purpose of the the Code Verification (COVE) 2A benchmarking activity is to assess the numerical accuracy of several computer programs for the Yucca Mountain Site Characterization Project of the Department of Energy. This paper presents a brief description of the computer program TOSPAC and a discussion of the calculational effort and results generated by TOSPAC for the COVE 2A problem set. The calculations were performed twice. The initial calculations provided preliminary results for comparison with the results from other COVE 2A participants. TOSPAC was modified in response to the comparison and the final calculations included a correction and several enhancements to improve efficiency. 8 refs.
Ray tracing flux calculation for the small and wide angle x-ray...
Office of Scientific and Technical Information (OSTI)
Ray tracing flux calculation for the small and wide angle x-ray scattering diffraction station at the SESAME synchrotron radiation facility Citation Details In-Document Search ...
Supplementary neutron-flux calculations for the ORNL Pool Critical Assembly Pressure Vessel Facility
Maudlin, P.J.; Maerker, R.E.
1982-01-01
A three-dimensional Monte Carlo calculation using the MORSE code was performed to validate a procedure previously adopted in the ORNL discrete ordinate analysis of measurements made in the ORNL Pool Critical Assembly Pressure Vessel Facility. The results of these flux calculations agree, within statistical undertainties of about 5%, with those obtained from a discrete ordinate analysis employing the same procedure. This study therefore concludes that the procedure for combining several one- and two-dimensional discrete ordinate calculations into a three-dimensional flux is sufficiently accurate that it does not account for the existing discrepancies observed between calculations and measurements in this facility.
Broader source: Energy.gov [DOE]
Presentation given by [company name] at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about first principles calculations...
Gobble Up Fuel Savings on Your Next Road Trip with My Trip Calculator...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
newest tool, My Trip Calculator. | Photo courtesy of iStockphoto.comgioadventures. Rebecca Matulka Rebecca Matulka Former Digital Communications Specialist, Office of ...
WPN 10-14: Calculation of Job Creation through DOE Recovery Act...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
092910, Superseded by WPN 10-14a Provides additional guidance to grantees on the methodology for calculating jobs created and retained through expenditure of grant funds...
WPN 10-14a: Calculation of Job Creation through DOE Recovery...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Archived 093015, ARRA Completion Provides additional guidance to grantees on the methodology for calculating jobs created and retained through expenditure of grant funds...
Microscopic Calculation of 240Pu Scission with a Finite-Range...
Office of Scientific and Technical Information (OSTI)
calculation for sup 226Th is obtained and compared to results in the literature. ... Country of Publication: United States Language: English Subject: 73 NUCLEAR PHYSICS AND ...
Perfetti, Christopher M; Rearden, Bradley T
2014-01-01
This work introduces a new approach for calculating sensitivity coefficients for generalized neutronic responses to nuclear data uncertainties using continuous-energy Monte Carlo methods. The approach presented in this paper, known as the GEAR-MC method, allows for the calculation of generalized sensitivity coefficients for multiple responses in a single Monte Carlo calculation with no nuclear data perturbations or knowledge of nuclear covariance data. The theory behind the GEAR-MC method is presented here, and proof of principle is demonstrated by using the GEAR-MC method to calculate sensitivity coefficients for responses in several 3D, continuous-energy Monte Carlo applications.
Evaluation of a new commercial Monte Carlo dose calculation algorithm for electron beams
Vandervoort, Eric J. Cygler, Joanna E.; The Faculty of Medicine, The University of Ottawa, Ottawa, Ontario K1H 8M5; Department of Physics, Carleton University, Ottawa, Ontario K1S 5B6 ; Tchistiakova, Ekaterina; Department of Medical Biophysics, University of Toronto, Ontario M5G 2M9; Heart and Stroke Foundation Centre for Stroke Recovery, Sunnybrook Research Institute, University of Toronto, Ontario M4N 3M5 ; La Russa, Daniel J.; The Faculty of Medicine, The University of Ottawa, Ottawa, Ontario K1H 8M5
2014-02-15
Purpose: In this report the authors present the validation of a Monte Carlo dose calculation algorithm (XiO EMC from Elekta Software) for electron beams. Methods: Calculated and measured dose distributions were compared for homogeneous water phantoms and for a 3D heterogeneous phantom meant to approximate the geometry of a trachea and spine. Comparisons of measurements and calculated data were performed using 2D and 3D gamma index dose comparison metrics. Results: Measured outputs agree with calculated values within estimated uncertainties for standard and extended SSDs for open applicators, and for cutouts, with the exception of the 17 MeV electron beam at extended SSD for cutout sizes smaller than 5 × 5 cm{sup 2}. Good agreement was obtained between calculated and experimental depth dose curves and dose profiles (minimum number of measurements that pass a 2%/2 mm agreement 2D gamma index criteria for any applicator or energy was 97%). Dose calculations in a heterogeneous phantom agree with radiochromic film measurements (>98% of pixels pass a 3 dimensional 3%/2 mm ?-criteria) provided that the steep dose gradient in the depth direction is considered. Conclusions: Clinically acceptable agreement (at the 2%/2 mm level) between the measurements and calculated data for measurements in water are obtained for this dose calculation algorithm. Radiochromic film is a useful tool to evaluate the accuracy of electron MC treatment planning systems in heterogeneous media.
Kadmensky, S. G., E-mail: kadmensky@phys.vsu.ru; Titova, L. V.; Pen'kov, N. V. [Voronezh State University (Russian Federation)
2006-08-15
In the framework of quantum-mechanical fission theory, the method of calculation for partial fission width amplitudes and asymptotic behavior of the fissile nucleus wave function with strong channel coupling taken into account has been suggested. The method allows one to solve the calculation problem of angular and energy distribution countation for binary and ternary fission.
Calculation notes in support of TWRS FSAR spray leak accident analysis
Hall, B.W., Westinghouse Hanford
1996-08-05
This document includes the calculations needed to quantify the risk associated with unmitigated and mitigated pressurized spray releases from tank farm transfer equipment inside transfer enclosures. The calculations within this document support the spray leak accident analysis reported in the TWRS FSAR.
T. Downar
2009-03-31
The overall objective of the work here has been to eliminate the approximations used in current resonance treatments by developing continuous energy multi-dimensional transport calculations for problem dependent self-shielding calculations. The work here builds on the existing resonance treatment capabilities in the ORNL SCALE code system.
Dunn, Jennifer B.; Qin, Zhangcai; Mueller, Steffen; Kwon, Ho-young; Wander, Michelle M.; Wang, Michael
2014-09-01
The Carbon Calculator for Land Use Change from Biofuels Production (CCLUB) calculates carbon emissions from land use change (LUC) for four different ethanol production pathways including corn grain ethanol and cellulosic ethanol from corn stover, Miscanthus, and switchgrass. This document discusses the version of CCLUB released September 30, 2014 which includes corn and three cellulosic feedstocks: corn stover, Miscanthus, and switchgrass.
Bounding Radionuclide Inventory and Accident Consequence Calculation for the 1L Target
Kelsey, Charles T. IV
2011-01-01
A bounding radionuclide inventory for the tungsten of the Los Alamos Neutron Science Center (LANSCE) IL Target is calculated. Based on the bounding inventory, the dose resulting from the maximum credible incident (MCI) is calculated for the maximally exposed offsite individual (MEOl). The design basis accident involves tungsten target oxidation following a loss of cooling accident. Also calculated for the bounding radionuclide inventory is the ratio to the LANSCE inventory threshold for purposes of inventory control as described in the target inventory control policy. A bounding radionuclide inventory calculation for the lL Target was completed using the MCNPX and CINDER'90 codes. Continuous beam delivery at 200 {micro}A to 2500 mA{center_dot}h was assumed. The total calculated activity following this irradiation period is 205,000 Ci. The dose to the MEOI from the MCI is 213 mrem for the bounding inventory. The LANSCE inventory control threshold ratio is 132.
George, G. L.; Olsher, R. H.; Seagraves, D. T.
2002-01-01
MCNP-4C1 was used to perform the shielding design for the new Central Health Physics Calibration Facility (CHPCF) at Los Alamos National Laboratory (LANL). The problem of shielding the facility was subdivided into three separate components: (1) Transmission; (2) Skyshine; and (3) Maze Streaming/ Transmission. When possible, actual measurements were taken to verify calculation results. The comparison of calculation versus measurement results shows excellent agreement for neutron calculations. For photon comparisons, calculations resulted in conservative estimates of the Effective Dose Equivalent (EDE) compared to measured results. This disagreement in the photon measurements versus calculations is most likely due to several conservative assumptions regarding shield density and composition. For example, reinforcing steel bars (Rebar) in the concrete shield walls were not included in the shield model.
Density-functional calculations for rare-earth atoms and ions
Forstreuter, J.; Steinbeck, L.; Richter, M.; Eschrig, H.
1997-04-01
Relativistic local-spin-density (RLSD) and self-interaction-corrected (SIC) RLSD calculations were performed for the whole series of the rare-earth elements. Ionization potentials and radial expectation values with 4f wave functions were calculated. Improvement on nearly all quantities is found for SIC calculations. Comparison with other calculational methods shows that for a description of rare-earth elements SIC-RLSD competes well in accuracy with all of them, including the most accurate quantum-chemical approach. This is important since the SIC calculation has the advantage of being suited for a description of localized f states in solids with a comparatively moderate effort. {copyright} {ital 1997} {ital The American Physical Society}
Hoffman, D.C.; Hoffman, M.M.
1990-11-01
The computer program, described in this report, is identified as PWAVED5. It was developed to calculate cross sections for nucleon transfer reactions in low energy heavy ion bombardments. The objective was to calculate cross sections that agree with experimental results for ions of different charge and mass and to develop a predictive capability. It was undertaken because previous heavy ion calculations, for which programs were readily available, appeared to focus primarily on reactions resulting in compound nucleus formation and were not particularly applicable to calculations of binary reaction cross sections at low interaction energies. There are to principal areas in which this computation differs from several other partial wave calculations of heavy-ion reaction cross sections. First, this program is designed specifically to calculate cross sections for nucleon exchange interactions and to exclude interactions that are expected to result in fusion of the two nuclei. A second major difference in this calculation is the use of a statistical distribution to assign the total interaction cross section to individual final mass states.
Equation of State from Lattice QCD Calculations (Conference) | SciTech
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Connect Conference: Equation of State from Lattice QCD Calculations Citation Details In-Document Search Title: Equation of State from Lattice QCD Calculations We provide a status report on the calculation of the Equation of State (EoS) of QCD at finite temperature using lattice QCD. Most of the discussion will focus on comparison of recent results obtained by the HotQCD and Wuppertal-Budapest collaborations. We will show that very significant progress has been made towards obtaining high
Microscopic Calculation of 240Pu Scission with a Finite-Range Effective
Office of Scientific and Technical Information (OSTI)
Force (Journal Article) | SciTech Connect Journal Article: Microscopic Calculation of 240Pu Scission with a Finite-Range Effective Force Citation Details In-Document Search Title: Microscopic Calculation of 240Pu Scission with a Finite-Range Effective Force Hartree-Fock-Bogoliubov calculations of hot fission in {sup 240}Pu have been performed with a newly-implemented code that uses the D1S finite-range effective interaction. The hot-scission line is identified in the
Zhang, S. Q.; Doenau, F.; Kaempfer, B.; Schwengner, R.; Wagner, A.; Bentley, I.; Frauendorf, S.; Brant, S.
2009-08-15
Electromagnetic dipole absorption cross sections of transitional nuclei with large-amplitude shape fluctuations are calculated in a microscopic way by introducing the concept of instantaneous-shape sampling, which is based on slow shape dynamics as compared with fast dipole vibrations. The dipole strength is calculated by means of the quasiparticle random-phase approximation (QRPA) for the instantaneous shapes, the probability of which is obtained by means of the interacting boson approximation. The calculations agree well with the experimental photoabsorption cross sections near the nucleon emission threshold, but they underestimate it at low energies. The cumulative cross sections for the region below the threshold are a factor of 2 too low.
H. Marr
2006-10-25
The purpose of this calculation is to evaluate the thermal performance of the Naval Long and Naval Short spent nuclear fuel (SNF) waste packages (WP) in the repository emplacement drift. The scope of this calculation is limited to the determination of the temperature profiles upon the surfaces of the Naval Long and Short SNF waste package for up to 10,000 years of emplacement. The temperatures on the top of the outside surface of the naval canister are the thermal interfaces for the Naval Nuclear Propulsion Program (NNPP). The results of this calculation are intended to support Licensing Application design activities.
A method to calculate fission-fragment yields Y(Z,N) versus proton and
Office of Scientific and Technical Information (OSTI)
neutron number in the Brownian shape-motion model (Journal Article) | SciTech Connect A method to calculate fission-fragment yields Y(Z,N) versus proton and neutron number in the Brownian shape-motion model Citation Details In-Document Search This content will become publicly available on December 23, 2016 Title: A method to calculate fission-fragment yields Y(Z,N) versus proton and neutron number in the Brownian shape-motion model In this study, we propose a method to calculate the
Structure and properties of electronic and hole centers in CsBr from theoretical calculations
Halliday, Matthew T.; Hess, Wayne P.; Shluger, Alexander L.
2015-06-24
The electronic structure, geometry, diffusion barriers and optical properties of fundamental defects of CsBr are calculated using hybrid functional DFT and TD- DFT methods. The B3LYP functional with a modified exchange contribution has been used in an embedded cluster scheme to model the structure and spectroscopic properties of self-trapped triplet exciton, interstitial Br atoms and ions, self-trapped holes and Br vacancies. The calculated migration barriers and positions of maxima of optical absorption bands are in good agreement with experiment, justifying the obtained defect geometries. The o*-center triplet exciton luminescence energy is also accurately calculated.
Combined local-density and dynamical mean field theory calculations for the
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compressed lanthanides Ce, Pr, and Nd (Journal Article) | SciTech Connect Journal Article: Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd Citation Details In-Document Search Title: Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd This paper reports calculations for compressed Ce (4f{sup 1}), Pr (4f{sup 2}), and Nd (4f{sup 3}) using a combination of the
Steam Technical Brief: How to Calculate the True Cost of Steam
2010-06-25
This BestPractice Steam Technical Brief helps you calculate the true cost of steam. Knowing the correct cost is important for many reasons and all of them have to do with improving the company's bottom line.
Application Of A Spherical-Radial Heat Transfer Model To Calculate...
A Spherical-Radial Heat Transfer Model To Calculate Geothermal Gradients From Measurements In Deep Boreholes Jump to: navigation, search OpenEI Reference LibraryAdd to library...
Mosca, P.; Mounier, C.; Bellier, P.; Zmijarevic, I.
2012-07-01
This paper shows how to improve the accuracy of the transport calculations using in the APOLLO2 code the optimized multigroup libraries calculated by AEMC for fast neutron systems. These ameliorations concern the fission source calculation and the self-shielding models. The calculation of the fission source was generalized to fission spectra including an incident neutron energy dependence. The subgroup self-shielding model was updated for a mixture of resonant nuclides. Some tests on a Pu-239 sphere without reflectors and a fast sodium cell show that the use of four fission spectra guarantees a correct representation of the fission source. The test on a Pu-239 sphere with a thick steel reflector proves that the subgroup self-shielding, accounting for the mutual shielding of several resonant nuclides, allows us to improve the accuracy of the neutron transport solution in the reflector. (authors)
Ryan, G.W., Westinghouse Hanford
1996-07-12
This document supports the development and presentation of the following accident scenario in the TWRS Final Safety Analysis Report: Subsurface Leak Remaining Subsurface. The calculations needed to quantify the risk associated with this accident scenario are included within.
Crowe, R.D., Westinghouse Hanford
1996-08-02
The purpose of this calculation note is to provide the basis forcriticality consequences for the Tank Farm Safety Analysis Report(FSAR). Criticality scenario is developed and details and description of the analysis methods are provided.
Ryan, G.W., Westinghouse Hanford
1996-09-19
This document supports the development and presentation of the following accident scenario in the TWRS Final Safety Analysis Report: Subsurface Leak Remaining Subsurface. The calculations needed to quantify the risk associated with this accident scenario are included within.
Calculation notes that support accident scenario and consequence of the evaporator dump
Crowe, R.D., Westinghouse Hanford
1996-09-09
The purpose of this calculation note is to provide the basis for evaporator dump consequence for the Tank Farm Safety Analysis Report (FSAR). Evaporator Dump scenario is developed and details and description of the analysis methods are provided.
Calculation notes that support accident scenario and consequence of the evaporator dump
Crowe, R.D.
1996-09-27
The purpose of this calculation note is to provide the basis for evaporator dump consequence for the Tank Farm Safety Analysis Report (FSAR). Evaporator Dump scenario is developed and details and description of the analysis methods are provided.
Calculation notes for surface leak resulting in pool, TWRS FSAR accident analysis
Hall, B.W.
1996-09-25
This document includes the calculations performed to quantify the risk associated with the unmitigated and mitigated accident scenarios described in the TWRS FSAR for the accident analysis titled: Surface Leaks Resulting in Pool.
Cowley, W.L.
1996-04-25
The analysis described in this report develops the Unit Liter Doses for use in the TWRS FSAR. The Unit Liter Doses provide a practical way to calculate conservative radiological consequences for a variety of potential accidents for the tank farms.
Calculation Notes for Subsurface Leak Resulting in Pool, TWRS FSAR Accident Analysis
Hall, B.W.
1996-09-25
This document includes the calculations performed to quantify the risk associated with the unmitigated and mitigated accident scenarios described in the TWRS FSAR for the accident analysis titled: Subsurface Leaks Resulting in Pool.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Larsen, Ross E.
2016-04-12
In this study, we introduce two simple tight-binding models, which we call fragment frontier orbital extrapolations (FFOE), to extrapolate important electronic properties to the polymer limit using electronic structure calculations on only a few small oligomers. In particular, we demonstrate by comparison to explicit density functional theory calculations that for long oligomers the energies of the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), and of the first electronic excited state are accurately described as a function of number of repeat units by a simple effective Hamiltonian parameterized from electronic structure calculations on monomers, dimers and, optionally,moreÂ Â» tetramers. For the alternating copolymer materials that currently comprise some of the most efficient polymer organic photovoltaic devices one can use these simple but rigorous models to extrapolate computed properties to the polymer limit based on calculations on a small number of low-molecular-weight oligomers.Â«Â less
Comment on 'Dirac R-matrix method for the calculation of x-ray...
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Title: Comment on 'Dirac R-matrix method for the calculation of x-ray line polarization' ... this quantity to be relatively insensitive to the size and details of the atomic model. ...
TEMP: a computer code to calculate fuel pin temperatures during a transient. [LMFBR
Bard, F E; Christensen, B Y; Gneiting, B C
1980-04-01
The computer code TEMP calculates fuel pin temperatures during a transient. It was developed to accommodate temperature calculations in any system of axi-symmetric concentric cylinders. When used to calculate fuel pin temperatures, the code will handle a fuel pin as simple as a solid cylinder or as complex as a central void surrounded by fuel that is broken into three regions by two circumferential cracks. Any fuel situation between these two extremes can be analyzed along with additional cladding, heat sink, coolant or capsule regions surrounding the fuel. The one-region version of the code accurately calculates the solution to two problems having closed-form solutions. The code uses an implicit method, an explicit method and a Crank-Nicolson (implicit-explicit) method.
Webinar: Using the RTU Comparison Calculator to Justify High-Efficiency Units
Broader source: Energy.gov [DOE]
The Advanced Rooftop Unit (RTU) Campaign is working with the Pacific Northwest National Laboratory (PNNL) to update its RTU Comparison Calculator (RTUCC). Join this webinar to learn how contractors...
Simple rule can be used to calculate friction loss in piping
Durand, A.A.
1997-05-26
A simple rule for calculating friction loss in piping has been developed. Called the Rule of Fours, it is designed to be easily memorized for use in the field. For determining pressure loss in piping, friction-loss tables are often more convenient than calculating the Reynolds number or finding the friction factor on a Moody chart, then calculating the friction loss by the Darcy or Fanning relationships. Friction-loss tables can be found in the Crane Technical Paper, Hydraulic Institute Engineering Data Book, and several other references. There are occasions, however, when such tables are not readily available to the engineer trying to estimate pressure drop in fluid flowing through pipelines. Because friction loss is essentially a point function, it is only necessary to determine the pressure drop for a given set of conditions. The author has developed a simple rule for such calculations.
Infrared and Raman spectra, DFT-calculations and spectral assignments of germacyclohexane
Aleksa, V. Ozerenskis, D.; Pucetaite, M.; Sablinskas, V.; Cotter, C.; Guirgis, G. A.
2015-03-30
Raman spectra of germacyclohexane in liquid and solid states were recorded and depolarization data obtained. Infrared absorption spectra of the vapor and liquid have been studied. The wavenumbers of the vibrational modes were derived in the harmonic and anharmonic approximation in B3LYP/ccpVTZ calculations. According to the calculations, germacyclohexane exists in the stable chair conformation, whereas a possible twist form should have more than 15â€…kJÂ·mol{sup -1} higher enthalpy of formation what makes this conformer experimentally not observable. The 27 A' and 21 A'' fundamentals were assigned on the basis of the calculations and infrared and Raman band intensities, contours of gas phase infrared spectral bands and Raman depolarization measurements. An average discrepancy of ca. 0.77 % was found between the observed and the calculated anharmonic wavenumbers for the 48 modes. Substitution of carbon atom with Ge atom in the cyclohexane ring is reasoning flattening of the ring.
Crowe, R.D.
1996-09-27
The purpose of this calculation note is to provide the basis for criticality consequences for the Tank Farm Safety Analysis Report (FSAR). Criticality scenario is developed and details and description of the analysis methods are provided.
Fragment Yields Calculated in a Time-Dependent Microscopic Theory of
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Fission (Technical Report) | SciTech Connect Fragment Yields Calculated in a Time-Dependent Microscopic Theory of Fission Citation Details In-Document Search Title: Fragment Yields Calculated in a Time-Dependent Microscopic Theory of Fission Authors: Younes, W ; Gogny, D Publication Date: 2012-09-28 OSTI Identifier: 1053671 Report Number(s): LLNL-TR-586678 DOE Contract Number: W-7405-ENG-48 Resource Type: Technical Report Research Org: Lawrence Livermore National Laboratory (LLNL),
Magnetic Field Line Tracing Calculations for Conceptual PFC Design in the
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National Compact Stellarator Experiment (Conference) | SciTech Connect Conference: Magnetic Field Line Tracing Calculations for Conceptual PFC Design in the National Compact Stellarator Experiment Citation Details In-Document Search Title: Magnetic Field Line Tracing Calculations for Conceptual PFC Design in the National Compact Stellarator Experiment The National Compact Stellarator Experiment (NCSX) is a three-field period compact stellarator presently in the construction phase at
Ab Initio Calculations of Light-Ion Fusion Reactions (Conference) | SciTech
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Connect Ab Initio Calculations of Light-Ion Fusion Reactions Citation Details In-Document Search Title: Ab Initio Calculations of Light-Ion Fusion Reactions Authors: Hupin, G ; Quaglioni, S ; Navratil, P Publication Date: 2012-09-11 OSTI Identifier: 1248279 Report Number(s): LLNL-PROC-580635 DOE Contract Number: AC52-07NA27344 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear Structure and Dynamics II, Opatija, Croatia, Jul 09 - Jul 13, 2012
Ab initio calculations of light-ion fusion reactions (Journal Article) |
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SciTech Connect Journal Article: Ab initio calculations of light-ion fusion reactions Citation Details In-Document Search Title: Ab initio calculations of light-ion fusion reactions The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. Above all nuclear scattering and reactions, which require the solution of the many-body quantum-mechanical problem in the continuum, represent an
Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report):
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ALCF-2 Early Science Program Technical Report (Technical Report) | SciTech Connect Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Authors: Lovato, A. ; Pieper, S.C. [1] ; PHY) [2] + Show Author Affiliations (LCF) ( Publication Date: 2013-05-13 OSTI Identifier: 1079770
Kirnos, V.N.; Samsonov, B.V.; Cheglokov, E.I.
1988-02-01
Calculations are performed, using a basis of two-center functions described previously, for excited states of the following three- and four-electron compounds: H/sub 2//sup -/, He/sub 2//sup +/, He/sub 2/, Li/sub 2//sup +2/. High efficiency is demonstrated for the frozen ionic core approximation and the nonorthogonal orbital method in such calculations. For four-electron systems the practical feasibility of the frozen hybrid core approximation is demonstrated.
Project W-320, 241-C-106 sluicing HVAC calculations, Volume 1
Bailey, J.W.
1998-08-07
This supporting document has been prepared to make the FDNW calculations for Project W-320, readily retrievable. The report contains the following calculations: Exhaust airflow sizing for Tank 241-C-106; Equipment sizing and selection recirculation fan; Sizing high efficiency mist eliminator; Sizing electric heating coil; Equipment sizing and selection of recirculation condenser; Chiller skid system sizing and selection; High efficiency metal filter shielding input and flushing frequency; and Exhaust skid stack sizing and fan sizing.
Remarks on calculation of positron flux from galactic dark matter (Journal
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Article) | SciTech Connect Remarks on calculation of positron flux from galactic dark matter Citation Details In-Document Search Title: Remarks on calculation of positron flux from galactic dark matter Energetic positrons produced in annihilation or decay of dark matter particles in the Milky Way can serve as an important indirect signature of dark matter. Computing the positron flux expected in a given dark matter model involves solving transport equations, which account for interaction of
QRPA Calculations for Spherical and Deformed Nuclei With the Gogny Force
Peru, S.
2009-08-26
Fully consistent axially-symmetric-deformed Quasi-particle Random Phase Approximation (QRPA) calculations have been performed with the D1S Gogny force. Dipole responses have been calculated in Ne isotopes to study the existence of soft dipole modes in exotic nuclei. A comparison between QRPA and generator coordinate method with Gaussian overlap approximation results is done for low lying 2{sup +} states in N = 16 isotones and Ni isotopes.
Erratum: Leading-order calculation of electric conductivity in hot quantum
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electrodynamics from diagrammatic methods [Phys. Rev. D 75, 025014 (2007)] (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Erratum: Leading-order calculation of electric conductivity in hot quantum electrodynamics from diagrammatic methods [Phys. Rev. D 75, 025014 (2007)] Citation Details In-Document Search Title: Erratum: Leading-order calculation of electric conductivity in hot quantum electrodynamics from diagrammatic methods [Phys. Rev. D 75, 025014
End-to-end calculation of the radiation characteristics of VVER-1000 spent fuel assemblies
Linge, I. I.; Mitenkova, E. F. Novikov, N. V.
2012-12-15
The results of end-to-end calculation of the radiation characteristics of VVER-1000 spent nuclear fuel are presented. Details of formation of neutron and gamma-radiation sources are analyzed. Distributed sources of different types of radiation are considered. A comparative analysis of calculated radiation characteristics is performed with the use of nuclear data from different ENDF/B and EAF files and ANSI/ANS and ICRP standards.
Water Power Calculator Temperature and Analog Input/Output Module Ambient Temperature Testing
Mark D. McKay
2011-02-01
Water Power Calculator Temperature and Analog input/output Module Ambient Temperature Testing A series of three ambient temperature tests were conducted for the Water Power Calculator development using the INL Calibration Laboratory’s Tenney Environmental Chamber. The ambient temperature test results demonstrate that the Moore Industries Temperature Input Modules, Analog Input Module and Analog Output Module, ambient temperature response meet or exceed the manufactures specifications
A probabilistic approach to calculating AC induction levels on power line collocated pipelines
Dabkowski, J. [Electro Sciences, Inc., Crystal Lake, IL (United States)
1995-12-01
For calculating induced voltage levels on pipelines paralleling overhead power lines available computational methods assume that the line circuit currents are balanced, i.e., equal. In this paper probabilistic computational methods are used to calculate induction levels for the more realistic assumption that the line currents carry a small randomly fluctuating component, and therefore, are unbalanced. Results show that limiting consideration to the balanced currents case can result in substantially underestimated induced voltage levels on the pipeline.
Methodology for Calculating Spectral Surface Albedo Using ARM MFSR and MFR
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Data Methodology for Calculating Spectral Surface Albedo Using ARM MFSR and MFR Data Gaustad, Krista Pacific Northwest National Laboratory Long, Chuck Pacific Northwest National Laboratory Category: Radiation This poster will describe a methodology for identifying the best estimate downwelling and upwelling irradiance measurements for use in calculating a global and spectral albedo for the area located near the SGP ARM's central facility 10m tower. The best estimate MFRSR downwelling global
Accurate Band-Structure Calculations for the 3d Transition Metal Oxides
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has developed a method to calculate accurate band structures and bandgap energies for 3d transition metal oxides using an augmented GW formalism. Significance and Impact This approach provides a computationally viable route for high-throughput prediction of band structures and optical properties in transition metal compounds. Accurate Band-Structure Calculations for the 3d Transition Metal Oxides S. Lany, Phys. Rev. B 87, 085112 (2013). Density of states (DOS) and absorption spectrum, shown for
A GPU-based Calculation Method for Near Field Effects of Cherenkov
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Radiation Induced by Ultra High Energy Cosmic Neutrinos (Conference) | SciTech Connect SciTech Connect Search Results Conference: A GPU-based Calculation Method for Near Field Effects of Cherenkov Radiation Induced by Ultra High Energy Cosmic Neutrinos Citation Details In-Document Search Title: A GPU-based Calculation Method for Near Field Effects of Cherenkov Radiation Induced by Ultra High Energy Cosmic Neutrinos Authors: Hu, Chia-Yu ; Chen, Chih-Ching ; /Taiwan, Natl. Taiwan U. ; Chen,
Energy Cost Calculator for Commercial Heat Pumps (5.4 >=< 20 Tons) |
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Department of Energy Heat Pumps (5.4 >=< 20 Tons) Energy Cost Calculator for Commercial Heat Pumps (5.4 >=< 20 Tons) Vary equipment size, energy cost, hours of operation, and /or efficiency level. INPUT SECTION Input the following data (if any parameter is missing, calculator will set to default value). Defaults Project Type New Installation Replacement New Installation Condenser Type Air Source Water Source Air Source Existing Capacity * ton - Existing Cooling Efficiency * EER -
Comparison of TRAC-BF1 calculations with the LaSalle 2 instability event
Larson, J.R.
1993-05-01
In March of 1988 the LaSalle 2 BWR, while at about 85 percent power, was exposed to a loss of both recirculation pumps providing drive flow to the jet pumps. Within a few minutes the reactor power began to oscillate, resulting in an overpower scram. This report presents results of calculations performed with the TRAC-BF1 code to assess the capability of the code to calculate the observed behavior of the LaSalle plant during the event.
Verification study of thorium cross section in MVP calculation of thorium
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based fuel core using experimental data (Conference) | SciTech Connect Verification study of thorium cross section in MVP calculation of thorium based fuel core using experimental data Citation Details In-Document Search Title: Verification study of thorium cross section in MVP calculation of thorium based fuel core using experimental data Considering the importance of thorium data and concerning about the accuracy of Th-232 cross section library, a series of experiments of thorium critical
XOP : a graphical user interface for spectral calculations and x-ray optics
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utilities. (Journal Article) | SciTech Connect XOP : a graphical user interface for spectral calculations and x-ray optics utilities. Citation Details In-Document Search Title: XOP : a graphical user interface for spectral calculations and x-ray optics utilities. No abstract prepared. Authors: Dejus, R. J. ; Sanchez del Rio, M. ; XFD Publication Date: 1996-09-01 OSTI Identifier: 15003303 DOE Contract Number: W-31-109-ENG-38 Resource Type: Journal Article Resource Relation: Journal Name:
Vacuum polarization calculations for hydrogenlike and alkali-metal-like ions
Sapirstein, J.; Cheng, K.T.
2003-10-01
Complete vacuum polarization calculations incorporating finite nuclear size are presented for hydrogenic ions with principal quantum numbers n=1-5. Lithiumlike, sodiumlike, and copperlike ions are also treated starting with Kohn-Sham potentials, and including first-order screening corrections. In both cases dominant Uehling terms are calculated with high accuracy, and smaller Wichmann-Kroll terms are obtained using numerical electron Green's functions.
Linear beam-beam tune shift calculations for the Tevatron Collider
Johnson, D.
1989-01-12
A realistic estimate of the linear beam-beam tune shift is necessary for the selection of an optimum working point in the tune diagram. Estimates of the beam-beam tune shift using the ''Round Beam Approximation'' (RBA) have over estimated the tune shift for the Tevatron. For a hadron machine with unequal lattice functions and beam sizes, an explicit calculation using the beam size at the crossings is required. Calculations for various Tevatron lattices used in Collider operation are presented. Comparisons between the RBA and the explicit calculation, for elliptical beams, are presented. This paper discusses the calculation of the linear tune shift using the program SYNCH. Selection of a working point is discussed. The magnitude of the tune shift is influenced by the choice of crossing points in the lattice as determined by the pbar ''cogging effects''. Also discussed is current cogging procedures and presents results of calculations for tune shifts at various crossing points in the lattice. Finally, a comparison of early pbar tune measurements with the present linear tune shift calculations is presented. 17 refs., 13 figs., 3 tabs.
Dose discrepancies in the buildup region and their impact on dose calculations for IMRT fields
Hsu, Shu-Hui; Moran, Jean M.; Chen Yu; Kulasekere, Ravi; Roberson, Peter L.
2010-05-15
Purpose: Dose accuracy in the buildup region for radiotherapy treatment planning suffers from challenges in both measurement and calculation. This study investigates the dosimetry in the buildup region at normal and oblique incidences for open and IMRT fields and assesses the quality of the treatment planning calculations. Methods: This study was divided into three parts. First, percent depth doses and profiles (for 5x5, 10x10, 20x20, and 30x30 cm{sup 2} field sizes at 0 deg., 45 deg., and 70 deg. incidences) were measured in the buildup region in Solid Water using an Attix parallel plate chamber and Kodak XV film, respectively. Second, the parameters in the empirical contamination (EC) term of the convolution/superposition (CVSP) calculation algorithm were fitted based on open field measurements. Finally, seven segmental head-and-neck IMRT fields were measured on a flat phantom geometry and compared to calculations using {gamma} and dose-gradient compensation (C) indices to evaluate the impact of residual discrepancies and to assess the adequacy of the contamination term for IMRT fields. Results: Local deviations between measurements and calculations for open fields were within 1% and 4% in the buildup region for normal and oblique incidences, respectively. The C index with 5%/1 mm criteria for IMRT fields ranged from 89% to 99% and from 96% to 98% at 2 mm and 10 cm depths, respectively. The quality of agreement in the buildup region for open and IMRT fields is comparable to that in nonbuildup regions. Conclusions: The added EC term in CVSP was determined to be adequate for both open and IMRT fields. Due to the dependence of calculation accuracy on (1) EC modeling, (2) internal convolution and density grid sizes, (3) implementation details in the algorithm, and (4) the accuracy of measurements used for treatment planning system commissioning, the authors recommend an evaluation of the accuracy of near-surface dose calculations as a part of treatment planning commissioning.
Emergency Doses (ED) - Revision 3: A calculator code for environmental dose computations
Rittmann, P.D.
1990-12-01
The calculator program ED (Emergency Doses) was developed from several HP-41CV calculator programs documented in the report Seven Health Physics Calculator Programs for the HP-41CV, RHO-HS-ST-5P (Rittman 1984). The program was developed to enable estimates of offsite impacts more rapidly and reliably than was possible with the software available for emergency response at that time. The ED - Revision 3, documented in this report, revises the inhalation dose model to match that of ICRP 30, and adds the simple estimates for air concentration downwind from a chemical release. In addition, the method for calculating the Pasquill dispersion parameters was revised to match the GENII code within the limitations of a hand-held calculator (e.g., plume rise and building wake effects are not included). The summary report generator for printed output, which had been present in the code from the original version, was eliminated in Revision 3 to make room for the dispersion model, the chemical release portion, and the methods of looping back to an input menu until there is no further no change. This program runs on the Hewlett-Packard programmable calculators known as the HP-41CV and the HP-41CX. The documentation for ED - Revision 3 includes a guide for users, sample problems, detailed verification tests and results, model descriptions, code description (with program listing), and independent peer review. This software is intended to be used by individuals with some training in the use of air transport models. There are some user inputs that require intelligent application of the model to the actual conditions of the accident. The results calculated using ED - Revision 3 are only correct to the extent allowed by the mathematical models. 9 refs., 36 tabs.
Abdel-Khalik, Hany S.; Zhang, Qiong
2014-05-20
The development of hybrid Monte-Carlo-Deterministic (MC-DT) approaches, taking place over the past few decades, have primarily focused on shielding and detection applications where the analysis requires a small number of responses, i.e. at the detector locations(s). This work further develops a recently introduced global variance reduction approach, denoted by the SUBSPACE approach is designed to allow the use of MC simulation, currently limited to benchmarking calculations, for routine engineering calculations. By way of demonstration, the SUBSPACE approach is applied to assembly level calculations used to generate the few-group homogenized cross-sections. These models are typically expensive and need to be executed in the order of 10^{3} - 10^{5} times to properly characterize the few-group cross-sections for downstream core-wide calculations. Applicability to k-eigenvalue core-wide models is also demonstrated in this work. Given the favorable results obtained in this work, we believe the applicability of the MC method for reactor analysis calculations could be realized in the near future.
A spreadsheet-coupled SOLGAS: A computerized thermodynamic equilibrium calculation tool. Revision 1
Trowbridge, L.D.; Leitnaker, J.M.
1995-07-01
SOLGAS, an early computer program for calculating equilibrium in a chemical system, has been made more user-friendly, and several ``bells and whistles`` have been added. The necessity to include elemental species has been eliminated. The input of large numbers of starting conditions has been automated. A revised spreadsheet-based format for entering data, including non-ideal binary and ternary mixtures, simplifies and reduces chances for error. Calculational errors by SOLGAS are flagged, and several programming errors are corrected. Auxiliary programs are available to assemble and partially automate plotting of large amounts of data. Thermodynamic input data can be changed on line. The program can be operated with or without a co-processor. Copies of the program, suitable for the IBM-PC or compatibles with at least 384 bytes of low RAM, are available from the authors. This user manual contains appendices with examples of the use of SOLGAS. These range from elementary examples, such as, the relationships among water, ice, and water vapor, to more complex systems: phase diagram calculation of UF{sub 4} and UF{sub 6} system; burning UF{sub 4} in fluorine; thermodynamic calculation of the Cl-F-O-H system; equilibria calculations in the CCl{sub 4}--CH{sub 3}OH system; and limitations applicable to aqueous solutions. An appendix also contains the source code.
Calculating the habitable zones of multiple star systems with a new interactive Web site
Müller, Tobias W. A.; Haghighipour, Nader
2014-02-10
We have developed a comprehensive methodology and an interactive Web site for calculating the habitable zone (HZ) of multiple star systems. Using the concept of spectral weight factor, as introduced in our previous studies of the calculations of HZ in and around binary star systems, we calculate the contribution of each star (based on its spectral energy distribution) to the total flux received at the top of the atmosphere of an Earth-like planet, and use the models of the HZ of the Sun to determine the boundaries of the HZ in multiple star systems. Our interactive Web site for carrying out these calculations is publicly available at http://astro.twam.info/hz. We discuss the details of our methodology and present its application to some of the multiple star systems detected by the Kepler space telescope. We also present the instructions for using our interactive Web site, and demonstrate its capabilities by calculating the HZ for two interesting analytical solutions of the three-body problem.
A new approach to calculate the transport matrix in RF cavities
Eidelman, Yu.; Mokhov, N.; Nagaitsev, S.; Solyak, N.; /Fermilab
2011-03-01
A realistic approach to calculate the transport matrix in RF cavities is developed. It is based on joint solution of equations of longitudinal and transverse motion of a charged particle in an electromagnetic field of the linac. This field is a given by distribution (measured or calculated) of the component of the longitudinal electric field on the axis of the linac. New approach is compared with other matrix methods to solve the same problem. The comparison with code ASTRA has been carried out. Complete agreement for tracking results for a TESLA-type cavity is achieved. A corresponding algorithm will be implemented into the MARS15 code. A realistic approach to calculate the transport matrix in RF cavities is developed. Complete agreement for tracking results with existed code ASTRA is achieved. New algorithm will be implemented into MARS15 code.
Thermoelectric properties of AgSbTe? from first-principles calculations
Rezaei, Nafiseh; Akbarzadeh, Hadi; Hashemifar, S. Javad
2014-09-14
The structural, electronic, and transport properties of AgSbTe? are studied by using full-relativistic first-principles electronic structure calculation and semiclassical description of transport parameters. The results indicate that, within various exchange-correlation functionals, the cubic Fd3?m and trigonal R3?m structures of AgSbTe? are more stable than two other considered structures. The computed Seebeck coefficients at different values of the band gap and carrier concentration are accurately compared with the available experimental data to speculate a band gap of about 0.1–0.35 eV for AgSbTe? compound, in agreement with our calculated electronic structure within the hybrid HSE (Heyd-Scuseria-Ernzerhof) functional. By calculating the semiclassical Seebeck coefficient, electrical conductivity, and electronic part of thermal conductivity, we present the theoretical upper limit of the thermoelectric figure of merit of AgSbTe? as a function of temperature and carrier concentration.
Calculation of the thermodynamic properties of fuel-vapor species from spectroscopic data
Green, D.W.
1980-09-01
Measured spectroscopic data, estimated molecular parameters, and a densty-of-states model for electronic structure have been used to calculate thermodynamic functions for gaseous ThO, ThO/sub 2/, UO, UO/sub 2/, UO/sub 3/, PuO, and PuO/sub 2/. Various methods for estimating parameters have been considered and numerically evaluated. The sensitivity of the calculated thermodynamic functions to molecular parameters has been examined quantitatively. New values of the standard enthalpies of formation at 298.15/sup 0/K have been derived from the best available ..delta..G/sup 0//sub f/ equations and the calculated thermodynamic functions. Estimates of the uncertainties have been made for measured and estimated data as well as for various mathematical and physical approximations. Tables of the thermodynamic functions to 6000/sup 0/K are recommended for gaseous thorium, uranium, and plutonium oxides.
Dobos, A. P.
2012-05-01
This paper describes an improved algorithm for calculating the six parameters required by the California Energy Commission (CEC) photovoltaic (PV) Calculator module model. Rebate applications in California require results from the CEC PV model, and thus depend on an up-to-date database of module characteristics. Currently, adding new modules to the database requires calculating operational coefficients using a general purpose equation solver - a cumbersome process for the 300+ modules added on average every month. The combination of empirical regressions and heuristic methods presented herein achieve automated convergence for 99.87% of the 5487 modules in the CEC database and greatly enhance the accuracy and efficiency by which new modules can be characterized and approved for use. The added robustness also permits general purpose use of the CEC/6 parameter module model by modelers and system analysts when standard module specifications are known, even if the module does not exist in a preprocessed database.
Project W-320, 241-C-106 sluicing: Piping calculations. Volume 4
Bailey, J.W.
1998-07-24
This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable. The objective of this calculation is to perform the structural analysis of the Pipe Supports designed for Slurry and Supernate transfer pipe lines in order to meet the requirements of applicable ASME codes. The pipe support design loads are obtained from the piping stress calculations W320-27-I-4 and W320-27-I-5. These loads are the total summation of the gravity, pressure, thermal and seismic loads. Since standard typical designs are used for each type of pipe support such as Y-Stop, Guide and Anchors, each type of support is evaluated for the maximum loads to which this type of supports are subjected. These loads are obtained from the AutoPipe analysis and used to check the structural adequacy of these supports.
Calculating a checksum with inactive networking components in a computing system
Aho, Michael E; Chen, Dong; Eisley, Noel A; Gooding, Thomas M; Heidelberger, Philip; Tauferner, Andrew T
2014-12-16
Calculating a checksum utilizing inactive networking components in a computing system, including: identifying, by a checksum distribution manager, an inactive networking component, wherein the inactive networking component includes a checksum calculation engine for computing a checksum; sending, to the inactive networking component by the checksum distribution manager, metadata describing a block of data to be transmitted by an active networking component; calculating, by the inactive networking component, a checksum for the block of data; transmitting, to the checksum distribution manager from the inactive networking component, the checksum for the block of data; and sending, by the active networking component, a data communications message that includes the block of data and the checksum for the block of data.
Calculating a checksum with inactive networking components in a computing system
Aho, Michael E; Chen, Dong; Eisley, Noel A; Gooding, Thomas M; Heidelberger, Philip; Tauferner, Andrew T
2015-01-27
Calculating a checksum utilizing inactive networking components in a computing system, including: identifying, by a checksum distribution manager, an inactive networking component, wherein the inactive networking component includes a checksum calculation engine for computing a checksum; sending, to the inactive networking component by the checksum distribution manager, metadata describing a block of data to be transmitted by an active networking component; calculating, by the inactive networking component, a checksum for the block of data; transmitting, to the checksum distribution manager from the inactive networking component, the checksum for the block of data; and sending, by the active networking component, a data communications message that includes the block of data and the checksum for the block of data.
Explicitly correlated Gaussian calculations of the {sup 2}D Rydberg states of the boron atom
Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik
2012-08-14
Accurate non-relativistic variational calculations are performed for the seven lowest members of the {sup 2}D Rydberg series (1s{sup 2}2s2p{sup 2}, and 1s{sup 2}2s{sup 2}nd, n= 3, Horizontal-Ellipsis , 8) of the boron atom. The wave functions of the states are expanded in terms of all-electron explicitly correlated Gaussian basis functions and the effect of the finite nuclear mass is directly included in the calculations allowing for determining the isotopic shifts of the energy levels. The Gaussian basis is optimized independently for each state with the aid of the analytic energy gradient with respect to the Gaussian parameters. The calculations represent the highest accuracy level currently achievable for the considered states. The computed energies are compared with the available experimental data.
RESRAD for Radiological Risk Assessment. Comparison with EPA CERCLA Tools - PRG and DCC Calculators
Yu, C.; Cheng, J. -J.; Kamboj, S.
2015-07-01
The purpose of this report is two-fold. First, the risk assessment methodology for both RESRAD and the EPAâ€™s tools is reviewed. This includes a review of the EPAâ€™s justification for 2 using a dose-to-risk conversion factor to reduce the dose-based protective ARAR from 15 to 12 mrem/yr. Second, the models and parameters used in RESRAD and the EPA PRG and DCC Calculators are compared in detail, and the results are summarized and discussed. Although there are suites of software tools in the RESRAD family of codes and the EPA Calculators, the scope of this report is limited to the RESRAD (onsite) code for soil contamination and the EPAâ€™s PRG and DCC Calculators also for soil contamination.
Cross sections calculated for cold fusion reactions for producing superheavy nuclei
Smolanczuk, Robert
2008-08-15
We propose a handy formula for calculating the formation cross sections for optimal bombarding energies for transactinides (superheavy elements). By means of the proposed formula the cross sections for asymmetric and symmetric cold fusion reactions (one-neutron-out reactions) are calculated. The fusion barrier and its position are calculated by using the folding heavy-ion potential that for spherical reaction partners has the form of a seventh-order polynomial of the radial coordinate with built-in dependence on the thickness of the nuclear surface, as well as on the separation energy of the least bound nucleon. Possibilities of further experimental exploitation of cold fusion in producing the superheavy nuclei are briefly discussed.
Tobin, J G; Yu, S W; Chung, B W; Ryzhkov, M V; Mirmelstein, A
2012-05-15
Using spectroscopic data produced in the experimental investigations of bulk systems, including X-Ray Absorption Spectroscopy (XAS), Photoelectron Spectroscopy (PES) and Bremstrahlung Isochromat Spectroscopy (BIS), the theoretical results within for UO{sub 2}{sup 6}, PuO{sub 2}{sup 6} and Pu{sup 7} clusters have been evaluated. The calculations of the electronic structure of the clusters have been performed within the framework of the Relativistic Discrete-Variational Method (RDV). The comparisons between the LLNL experimental data and the Russian calculations are quite favorable. The cluster calculations may represent a new and useful avenue to address unresolved questions within the field of actinide electron structure, particularly that of Pu. Observation of the changes in the Pu electronic structure as a function of size suggests interesting implications for bulk Pu electronic structure.
A comparison between calculated and measured SHGC for complex fenestration systems
Klems, J.H.; Warner, J.L.; Kelley, G.O.
1995-09-01
Calorimetric measurements of dynamic net heat flow through a complex fenestration system consisting of a buff venetian blind inside clear double glazing are used to derive the direction-dependent beam SHGC (solar heat gain coefficient) of the fenestration. The data are compared with calculations according to a proposed general method for deriving complex fenestration system SHGC`s from bidirectional layer optical properties and generic calorimetric properties. Previously published optical data for the same venetian blind and generic inward-flowing fraction measurements are used in the calculation. Satisfactory agreement is found between SHGC measurements and calculation. Significant dependence on incident angle was found in the measured SHGC`s. Profile angle was not found to be a useful variable in characterizing the system performance. Predicted SHGC was found to be inherently dependent on two angles, although only the incident angle variations were observable under test conditions.
Fattebert, J; Law, R J; Bennion, B; Lau, E Y; Schwegler, E; Lightstone, F C
2009-04-24
We evaluate the accuracy of density functional theory quantum calculations of biomolecular subsystems using a simple electrostatic embedding scheme. Our scheme is based on dividing the system of interest into a primary and secondary subsystem. A finite difference discretization of the Kohn-Sham equations is used for the primary subsystem, while its electrostatic environment is modeled with a simple one-electron potential. Force-field atomic partial charges are used to generate smeared Gaussian charge densities and to model the secondary subsystem. We illustrate the utility of this approach with calculations of truncated dipeptide chains. We analyze quantitatively the accuracy of this approach by calculating atomic forces and comparing results with fullQMcalculations. The impact of the choice made in terminating dangling bonds at the frontier of the QM region is also investigated.
Isothermal Multiphase Flash Calculations with the PC-SAFT Equation of State
Justo-Garcia, Daimler N.; Garcia-Sanchez, Fernando; Romero-Martinez, Ascencion
2008-03-05
A computational approach for isothermal multiphase flash calculations with the PC-SAFT (Perturbed-Chain Statistical Associating Fluid Theory) equation of state is presented. In the framework of the study of fluid phase equilibria of multicomponent systems, the general multiphase problem is the single most important calculation which consists of finding the correct number and types of phases and their corresponding equilibrium compositions such that the Gibbs energy of the system is a minimum. For solving this problem, the system Gibbs energy was minimized using a rigorous method for thermodynamic stability analysis to find the most stable state of the system. The efficiency and reliability of the approach to predict and calculate complex phase equilibria are illustrated by solving three typical problems encountered in the petroleum industry.
Zhu, G.; Lewandowski, A.
2012-11-01
A new analytical method -- First-principle OPTical Intercept Calculation (FirstOPTIC) -- is presented here for optical evaluation of trough collectors. It employs first-principle optical treatment of collector optical error sources and derives analytical mathematical formulae to calculate the intercept factor of a trough collector. A suite of MATLAB code is developed for FirstOPTIC and validated against theoretical/numerical solutions and ray-tracing results. It is shown that FirstOPTIC can provide fast and accurate calculation of intercept factors of trough collectors. The method makes it possible to carry out fast evaluation of trough collectors for design purposes. The FirstOPTIC techniques and analysis may be naturally extended to other types of CSP technologies such as linear-Fresnel collectors and central-receiver towers.
Takeda, T.; Shimazu, Y.; Hibi, K.; Fujimura, K.
2012-07-01
Under the R and D project to improve the modeling accuracy for the design of fast breeder reactors the authors are developing a neutronics calculation method for designing a large commercial type sodium- cooled fast reactor. The calculation method is established by taking into account the special features of the reactor such as the use of annular fuel pellet, inner duct tube in large fuel assemblies, large core. The Verification and Validation, and Uncertainty Qualification (V and V and UQ) of the calculation method is being performed by using measured data from the prototype FBR Monju. The results of this project will be used in the design and analysis of the commercial type demonstration FBR, known as the Japanese Sodium fast Reactor (JSFR). (authors)
GUIDE TO CALCULATING TRANSPORT EFFICIENCY OF AEROSOLS IN OCCUPATIONAL AIR SAMPLING SYSTEMS
Hogue, M.; Hadlock, D.; Thompson, M.; Farfan, E.
2013-11-12
This report will present hand calculations for transport efficiency based on aspiration efficiency and particle deposition losses. Because the hand calculations become long and tedious, especially for lognormal distributions of aerosols, an R script (R 2011) will be provided for each element examined. Calculations are provided for the most common elements in a remote air sampling system, including a thin-walled probe in ambient air, straight tubing, bends and a sample housing. One popular alternative approach would be to put such calculations in a spreadsheet, a thorough version of which is shared by Paul Baron via the Aerocalc spreadsheet (Baron 2012). To provide greater transparency and to avoid common spreadsheet vulnerabilities to errors (Burns 2012), this report uses R. The particle size is based on the concept of activity median aerodynamic diameter (AMAD). The AMAD is a particle size in an aerosol where fifty percent of the activity in the aerosol is associated with particles of aerodynamic diameter greater than the AMAD. This concept allows for the simplification of transport efficiency calculations where all particles are treated as spheres with the density of water (1 g?cm-3). In reality, particle densities depend on the actual material involved. Particle geometries can be very complicated. Dynamic shape factors are provided by Hinds (Hinds 1999). Some example factors are: 1.00 for a sphere, 1.08 for a cube, 1.68 for a long cylinder (10 times as long as it is wide), 1.05 to 1.11 for bituminous coal, 1.57 for sand and 1.88 for talc. Revision 1 is made to correct an error in the original version of this report. The particle distributions are based on activity weighting of particles rather than based on the number of particles of each size. Therefore, the mass correction made in the original version is removed from the text and the calculations. Results affected by the change are updated.
Fine-grid calculations for stellar electron and positron capture rates on Fe isotopes
Nabi, Jameel-Un; Tawfik, Abdel Nasser
2013-03-15
The acquisition of precise and reliable nuclear data is a prerequisite to success for stellar evolution and nucleosynthesis studies. Core-collapse simulators find it challenging to generate an explosion from the collapse of the core of massive stars. It is believed that a better understanding of the microphysics of core-collapse can lead to successful results. The weak interaction processes are able to trigger the collapse and control the lepton-to-baryon ratio (Y{sub e}) of the corematerial. It is suggested that the temporal variation of Y{sub e} within the core of a massive star has a pivotal role to play in the stellar evolution and a fine-tuning of this parameter at various stages of presupernova evolution is the key to generate an explosion. During the presupernova evolution of massive stars, isotopes of iron, mainly {sup 54-56}Fe, are considered to be key players in controlling Y{sub e} ratio via electron capture on these nuclides. Recently an improved microscopic calculation of weak-interaction-mediated rates for iron isotopes was introduced using the proton-neutron quasiparticle random-phase-approximation (pn-QRPA) theory. The pn-QRPA theory allows a microscopic state-by-state calculation of stellar capture rates which greatly increases the reliability of calculated rates. The results were suggestive of some fine-tuning of the Y{sub e} ratio during various phases of stellar evolution. Here we present for the first time the fine-grid calculation of the electron and positron capture rates on {sup 54-56}Fe. The sensitivity of the pn-QRPA calculated capture rates to the deformation parameter is also studied in this work. Core-collapse simulators may find this calculation suitable for interpolation purposes and for necessary incorporation in the stellar evolution codes.
Yang, W.; Wu, H.; Cao, L.
2012-07-01
More and more MOX fuels are used in all over the world in the past several decades. Compared with UO{sub 2} fuel, it contains some new features. For example, the neutron spectrum is harder and more resonance interference effects within the resonance energy range are introduced because of more resonant nuclides contained in the MOX fuel. In this paper, the wavelets scaling function expansion method is applied to study the resonance behavior of plutonium isotopes within MOX fuel. Wavelets scaling function expansion continuous-energy self-shielding method is developed recently. It has been validated and verified by comparison to Monte Carlo calculations. In this method, the continuous-energy cross-sections are utilized within resonance energy, which means that it's capable to solve problems with serious resonance interference effects without iteration calculations. Therefore, this method adapts to treat the MOX fuel resonance calculation problem natively. Furthermore, plutonium isotopes have fierce oscillations of total cross-section within thermal energy range, especially for {sup 240}Pu and {sup 242}Pu. To take thermal resonance effect of plutonium isotopes into consideration the wavelet scaling function expansion continuous-energy resonance calculation code WAVERESON is enhanced by applying the free gas scattering kernel to obtain the continuous-energy scattering source within thermal energy range (2.1 eV to 4.0 eV) contrasting against the resonance energy range in which the elastic scattering kernel is utilized. Finally, all of the calculation results of WAVERESON are compared with MCNP calculation. (authors)
Application of RAD-BCG calculator to Hanford's 300 area shoreline characterization dataset
Antonio, Ernest J.; Poston, Ted M.; Tiller, Brett L.; Patton, Gene W.
2003-07-01
Abstract. In 2001, a multi-agency study was conducted to characterize potential environmental effects from radiological and chemical contaminants on the near-shore environment of the Columbia River at the 300 Area of the U.S. Department of Energyâ€™s Hanford Site. Historically, the 300 Area was the location of nuclear fuel fabrication and was the main location for research and development activities from the 1940s until the late 1980s. During past waste handling practices uranium, copper, and other heavy metals were routed to liquid waste streams and ponds near the Columbia River shoreline. The Washington State Department of Health and the Pacific Northwest National Laboratoryâ€™s Surface Environmental Surveillance Project sampled various environmental components including river water, riverbank spring water, sediment, fishes, crustaceans, bivalve mollusks, aquatic insects, riparian vegetation, small mammals, and terrestrial invertebrates for analyses of radiological and chemical constituents. The radiological analysis results for water and sediment were used as initial input into the RAD-BCG Calculator. The RAD-BCG Calculator, a computer program that uses an ExcelÂ® spreadsheet and Visual BasicÂ® software, showed that maximum radionuclide concentrations measured in water and sediment were lower than the initial screening criteria for concentrations to produce dose rates at existing or proposed limits. Radionuclide concentrations measured in biota samples were used to calculate site-specific bioaccumulation coefficients (Biv) to test the utility of the RAD-BCG-Calculatorâ€™s site-specific screening phase. To further evaluate site-specific effects, the default Relative Biological Effect (RBE) for internal alpha particle emissions was reduced by half and the programâ€™s kinetic/allometric calculation approach was initiated. The subsequent calculations showed the initial RAD-BCG Calculator results to be conservative, which is appropriate for screening purposes.
First-principles calculations of phonons and Raman spectra in monoclinic
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CsSnCl 3 (Journal Article) | SciTech Connect First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Citation Details In-Document Search Title: First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Authors: Huang, Ling-yi ; Lambrecht, Walter R. L. Publication Date: 2015-02-20 OSTI Identifier: 1179977 Grant/Contract Number: ER-46874-SC0008933 Type: Publisher's Accepted Manuscript Journal Name: Physical Review B Additional Journal
Ab Initio Many-Body Calculations Of Light-Ion Reactions (Conference) |
Office of Scientific and Technical Information (OSTI)
SciTech Connect Conference: Ab Initio Many-Body Calculations Of Light-Ion Reactions Citation Details In-Document Search Title: Ab Initio Many-Body Calculations Of Light-Ion Reactions Authors: Romero-Redondo, C ; Navratil, P ; Quaglioni, S ; Hupin, G ; Langhammer, J ; Calci, A ; Roth, R Publication Date: 2013-07-31 OSTI Identifier: 1093413 Report Number(s): LLNL-PROC-642196 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear
MCNP6 Dose Calculations for the Carousel in the LDRGIF (Technical Report) |
Office of Scientific and Technical Information (OSTI)
SciTech Connect MCNP6 Dose Calculations for the Carousel in the LDRGIF Citation Details In-Document Search Title: MCNP6 Dose Calculations for the Carousel in the LDRGIF Authors: Brewer, Roger W. [1] ; Temple, Brian A. [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2013-08-26 OSTI Identifier: 1091309 Report Number(s): LA-UR-13-26699 DOE Contract Number: AC52-06NA25396 Resource Type: Technical Report Research Org: Los Alamos National Laboratory (LANL)
MCNP6 Dose Calculations for the Carousel in the LDRGIF Using an AmBe Source
Office of Scientific and Technical Information (OSTI)
(Technical Report) | SciTech Connect MCNP6 Dose Calculations for the Carousel in the LDRGIF Using an AmBe Source Citation Details In-Document Search Title: MCNP6 Dose Calculations for the Carousel in the LDRGIF Using an AmBe Source Authors: Brewer, Roger Wayne [1] ; Temple, Brian Allen [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2014-10-02 OSTI Identifier: 1159203 Report Number(s): LA-UR-14-27682 DOE Contract Number: AC52-06NA25396 Resource Type: Technical
Multi-Scale Multi-physics Methods Development for the Calculation of
Office of Scientific and Technical Information (OSTI)
Hot-Spots in the NGNP (Technical Report) | SciTech Connect Multi-Scale Multi-physics Methods Development for the Calculation of Hot-Spots in the NGNP Citation Details In-Document Search Title: Multi-Scale Multi-physics Methods Development for the Calculation of Hot-Spots in the NGNP Radioactive gaseous fission products are released out of the fuel element at a significantly higher rate when the fuel temperature exceeds 1600Â°C in high-temperature gas-cooled reactors (HTGRs). Therefore, it is
Zhang, S. Q.; Doenau, F.; Kaempfer, B.; Schwengner, R.; Wagner, A.; Bentley, I.; Brant, S.; Frauendorf, S.
2009-01-28
Electromagnetic dipole absorption cross-sections of transitional nuclei with large-amplitude shape fluctuations are calculated in a microscopic way by introducing the concept of instantaneous-shape sampling. The concept bases on the slow shape dynamics as compared to the dipole vibrations. The dipole strength is calculated by means of RPA for the instantaneous shapes, the probability of which is obtained by means of IBA-1. Very good agreement with the experimental absorption cross sections near the nucleon emission threshold is obtained.
Landry, Brian R.; Falk, Martin J.; Subotnik, Joseph E.
2013-12-07
In a recent paper, we presented a road map for how Tully's fewest switches surface hopping (FSSH) algorithm can be derived, under certain circumstances, from the mixed quantum-classical Liouville equation. In this communication, we now demonstrate how this new interpretation of surface hopping can yield significantly enhanced results for electronic properties in nonadiabatic calculations. Specifically, we calculate diabatic populations for the spin-boson problem using FSSH trajectories. We show that, for some Hamiltonians, without changing the FSSH algorithm at all but rather simply reinterpreting the ensemble of surface hopping trajectories, we recover excellent results and remove any and all ambiguity about the initial condition problem.
SOLAR MIXTURE OPACITY CALCULATIONS USING DETAILED CONFIGURATION AND LEVEL ACCOUNTING TREATMENTS
Blancard, Christophe; Cosse, Philippe; Faussurier, Gerald
2012-01-20
An opacity model (OPAS) combining detailed configuration and level accounting treatments has been developed to calculate radiative opacity of plasmas in local thermodynamic equilibrium. The model is presented and used to compute spectral opacities of a solar mixture. Various density-temperature couples have been considered from the solar center up to the vicinity of the radiative/convective zone interface. For a given solar thermodynamic path, OPAS calculations are compared to Opacity Project (OP) and OPAL data. Rosseland mean opacity values are in very good agreement over all the considered solar thermodynamic path, while OPAS and OP spectral opacities of each element may vary considerably. Main sources of discrepancy are discussed.
Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Bjorgaard, J. A.; Kuzmenko, V.; Velizhanin, K. A.; Tretiak, S.
2015-01-22
In this study, we implement and examine three excited state solvent models in time-dependent self-consistent field methods using a consistent formalism which unambiguously shows their relationship. These are the linear response, state specific, and vertical excitation solvent models. Their effects on energies calculated with the equivalent of COSMO/CIS/AM1 are given for a set of test molecules with varying excited state charge transfer character. The resulting solvent effects are explained qualitatively using a dipole approximation. It is shown that the fundamental differences between these solvent models are reflected by the character of the calculated excitations.
Ab Initio Many-Body Calculations Of Light-Ion Reactions (Conference) |
Office of Scientific and Technical Information (OSTI)
SciTech Connect Conference: Ab Initio Many-Body Calculations Of Light-Ion Reactions Citation Details In-Document Search Title: Ab Initio Many-Body Calculations Of Light-Ion Reactions Authors: Romero-Redondo, C ; Navratil, P ; Quaglioni, S ; Hupin, G ; Langhammer, J ; Calci, A ; Roth, R Publication Date: 2013-07-31 OSTI Identifier: 1093413 Report Number(s): LLNL-PROC-642196 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear
Ab Initio Many-Body Calculations of Deuteron-4He Scattering And 6Li States
Office of Scientific and Technical Information (OSTI)
(Journal Article) | SciTech Connect Journal Article: Ab Initio Many-Body Calculations of Deuteron-4He Scattering And 6Li States Citation Details In-Document Search Title: Ab Initio Many-Body Calculations of Deuteron-4He Scattering And 6Li States Authors: Quaglioni, S ; Navratil, P Publication Date: 2011-02-08 OSTI Identifier: 1118007 Report Number(s): LLNL-JRNL-469878 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article Resource Relation: Journal Name: Phisical Review C, na, na,
Analytic calculation of 1-jettiness in DIS at O (?_{s})
Kang, Daekyoung; Lee, Christopher; Stewart, Iain W.
2014-11-24
We present an analytic O(?_{s}) calculation of cross sections in deep inelastic scattering (DIS) dependent on an event shape, 1-jettiness, that probes final states with one jet plus initial state radiation. This is the first entirely analytic calculation for a DIS event shape cross section at this order. We present results for the differential and cumulative 1-jettiness cross sections, and express both in terms of structure functions dependent not only on the usual DIS variables x, Q ^{2} but also on the 1-jettiness ?. Combined with previous results for log resummation, predictions are obtained over the entire range of the 1-jettiness distribution.
Hexakis(4-phormylphenoxy)cyclotriphosphazene: X-ray and DFT-calculated structures
Albayrak, Cigdem Kosar, Basak; Odabasoglu, Mustafa; Bueyuekguengoer, Orhan
2010-12-15
The crystal structure of hexakis(4-phormylphenoxy)cyclotriphosphazene is determined by using X-ray diffraction and then the molecular structure is investigated with density functional theory (DFT). X-Ray study shows that the title compound has C-H-{pi} interaction with phosphazene ring. The molecules in the unit cell are packed with Van der Waals and dipole-dipole interactions and the molecules are packed in zigzag shaped. Optimized molecular geometry is calculated with DFT at B3LYP/6-311G(d,p) level. The results from both experimental and theoretical calculations are compared in this study.
Simplified approach to interacting boson approximation-2 calculations using Hamiltonian invariants
Chou, W.-T.; Zamfir, N. V.; Clark University, Worcester, Massachusetts 01610; National Institute of Physics and Nuclear Engineering, Bucharest, ; Casten, R. F.
2000-07-01
A systematic study of predictions of the interacting boson approximation (IBA)-2 model leads to the identification of two parameter invariants such that calculations with the same values of the invariants yield results that are identical in certain cases and show close similarities under a wider set of conditions. The invariants validate a much-used form of the IBA-2 Hamiltonian and provide a systematic method to simplify IBA-2 calculations by choosing a truncated Hamiltonian with the same invariant values as more general Hamiltonians. (c) 2000 The American Physical Society.
First-principles calculations of phonons and Raman spectra in monoclinic
Office of Scientific and Technical Information (OSTI)
CsSnCl 3 (Journal Article) | SciTech Connect First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Citation Details In-Document Search Title: First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Authors: Huang, Ling-yi ; Lambrecht, Walter R. L. Publication Date: 2015-02-20 OSTI Identifier: 1179977 Grant/Contract Number: ER-46874-SC0008933 Type: Publisher's Accepted Manuscript Journal Name: Physical Review B Additional Journal
FRAP-T6 calculations of fuel-rod behavior during overpower transients. [PWR; BWR
Chambers, R.; Resch, S.C.
1982-01-01
The performance of the FRAP-T6 computer code in calculating fuel rod failure and fission gas release during overpower transient events was analyzed. Comparisons of the code's calculations with experiment data was used to determine the accuracy of the code in these two performance areas. First, the ability of the code to replicate observed failure trends as functions of power, ramp rate, hold time, burnup, pellet-cladding gap size, cladding thickness, and fuel density was examined. Then, the capability of the code's fission gas release model to duplicate experiment measurements of unfailed rods was tested at various burnups.
Comment on 'Dirac R-matrix method for the calculation of x-ray line
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polarization' (Journal Article) | SciTech Connect Comment on 'Dirac R-matrix method for the calculation of x-ray line polarization' Citation Details In-Document Search Title: Comment on 'Dirac R-matrix method for the calculation of x-ray line polarization' In a recent article by Chen et al. [Phys. Rev. A 79, 062715 (2009)], reference is made to magnetic sublevel collision strengths in an earlier relativistic distorted-wave (RDW) article by Zhang et al. [Phys. Rev. A 41, 198 (1990)]. In the
{ital Ab Initio} Calculation of Crystalline Electric Fields and Kondo Temperatures in Ce Compounds
Han, J.; Alouani, M.; Cox, D.; Han, J.; Cox, D.; Alouani, M.
1997-02-01
We have calculated the band-f hybridizations for Ce{sub x}La{sub 1-x}M{sub 3} compounds (x=1 and x{r_arrow}0; M=Pb,In,Sn,Pd) within the local density approximation and fed this into a noncrossing approximation for the Anderson impurity model applied to both dilute and concentrated limits. Our calculations produce crystalline electric field splittings and Kondo temperatures with trends in good agreement with experiment and demonstrate the need for detailed electronic structure information on hybridization to describe the diverse behaviors of these Ce compounds. {copyright} {ital 1997} {ital The American Physical Society}
DWPF Algorithm for Calculation of Source Terms and Consequences for EXCEL
Energy Science and Technology Software Center (OSTI)
1997-02-11
The DWPFAST software application algorithm is an Excel spreadsheet, with optional macros, designed to calculate the radiological source terms and consequences due to postulated accident progressions in non-reactor nuclear facilities (currently it is being used for DWPF). Upon input of a multi-character accident progression identification code, and basic facility data, the algorithm calculates individual accident segment releases, overall facility releases, and radiological consequences for various receptors, for up to 13 individual radionuclides. The algorithm wasmoreÂ Â» designed to support probabilistic safety assements (PSAs).Â«Â less
Ellison, C. Leland; Finn, J. M.; Qin, H.; Tang, William M.
2014-10-01
Structure-preserving algorithms obtained via discrete variational principles exhibit strong promise for the calculation of guiding center test particle trajectories. The non-canonical Hamiltonian structure of the guiding center equations forms a novel and challenging context for geometric integration. To demonstrate the practical relevance of these methods, a prototypical variational midpoint algorithm is applied to an experimental magnetic equilibrium. The stability characteristics, conservation properties, and implementation requirements associated with the variational algorithms are addressed. Furthermore, computational run time is reduced for large numbers of particles by parallelizing the calculation on GPU hardware.