Enthalpy Landscape Dictates the Irradiation-Induced Disordering of Quartz

Krishnan, N. M. Anoop; Wang, Bu; Yu, Yingtian; Le Pape, Yann; Sant, Gaurav; Bauchy, Mathieu

doi:10.1103/PhysRevX.7.031019

Title: Enthalpy Landscape Dictates the Irradiation-Induced Disordering of Quartz

Journal Article · Fri Jul 28 00:00:00 UTC 2017 · Physical Review. X

DOI: https://doi.org/10.1103/PhysRevX.7.031019 · OSTI ID:1373316

Krishnan, N. M. Anoop; Wang, Bu; Yu, Yingtian; Le Pape, Yann; Sant, Gaurav; Bauchy, Mathieu

Not Available

View Journal Article

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1373316

Journal Information:: Physical Review. X, Journal Name: Physical Review. X Journal Issue: 3 Vol. 7; ISSN PRXHAE; ISSN 2160-3308

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (47)

Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Ion implantation: A useful tool for semiconductor research Schulz, M. Applied Physics, Vol. 4, Issue 2 https://doi.org/10.1007/BF00884263	journal	July 1974
Effect of irradiation temperature on the radiation expansion of quartz Bykov, V. N.; Denisov, A. V.; Dubrovskii, V. B. Soviet Atomic Energy, Vol. 51, Issue 3 https://doi.org/10.1007/BF01135758	journal	September 1981
The role of topology and geometry in the irradiation-induced amorphization of network structures Hobbs, Linn W. Journal of Non-Crystalline Solids, Vol. 182, Issue 1-2 https://doi.org/10.1016/0022-3093(94)00574-5	journal	March 1995
A mechanism for radiation damage in silicate glasses Denatale, J. F.; Howitt, D. G. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 1, Issue 2-3 https://doi.org/10.1016/0168-583X(84)90114-9	journal	February 1984
Topology and geometry in the irradiation-induced amorphization of insulators Hobbs, Linn W. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 91, Issue 1-4 https://doi.org/10.1016/0168-583X(94)96187-5	journal	June 1994
Molecular dynamics simulation of low-energy atomic displacement cascades in a simplified nuclear glass Delaye, J. M.; Ghaleb, D. Journal of Nuclear Materials, Vol. 244, Issue 1 https://doi.org/10.1016/S0022-3115(96)00719-2	journal	March 1997
Radiation induced amorphization resistance in A2O3–BO2 oxides Sickafus, Kurt E.; Valdez, James A.; Williams, Jesse R. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 191, Issue 1-4 https://doi.org/10.1016/S0168-583X(02)00609-2	journal	May 2002
Models and mechanisms of irradiation-induced amorphization in ceramics Weber, W. J. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 166-167 https://doi.org/10.1016/S0168-583X(99)00643-6	journal	May 2000
Ion irradiation-induced amorphization of six zirconolite compositions Wang, S. X.; Lumpkin, G. R.; Wang, L. M. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 166-167 https://doi.org/10.1016/S0168-583X(99)00665-5	journal	May 2000
Radiation response of FeTiO3, MgTiO3, and α-Al2O3 Devanathan, R.; Mitchell, J. N.; Sickafus, K. E. Materials Science and Engineering: A, Vol. 253, Issue 1-2 https://doi.org/10.1016/S0921-5093(98)00718-7	journal	September 1998
Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems Le Roux, Sébastien; Jund, Philippe Computational Materials Science, Vol. 49, Issue 1 https://doi.org/10.1016/j.commatsci.2010.04.023	journal	June 2010
Forbidden glasses and the failure of fictive temperature Mauro, John C.; Loucks, Roger J. Journal of Non-Crystalline Solids, Vol. 355, Issue 10-12 https://doi.org/10.1016/j.jnoncrysol.2008.11.025	journal	May 2009
Revisiting silica with ReaxFF: Towards improved predictions of glass structure and properties via reactive molecular dynamics Yu, Yingtian; Wang, Bu; Wang, Mengyi Journal of Non-Crystalline Solids, Vol. 443 https://doi.org/10.1016/j.jnoncrysol.2016.03.026	journal	July 2016
Irradiation-induced topological transition in SiO2: Structural signature of networks' rigidity Wang, Bu; Krishnan, N. M. Anoop; Yu, Yingtian Journal of Non-Crystalline Solids, Vol. 463 https://doi.org/10.1016/j.jnoncrysol.2017.02.017	journal	May 2017
The Atomic Arrangement in Glass Zachariasen, W. H. Journal of the American Chemical Society, Vol. 54, Issue 10 https://doi.org/10.1021/ja01349a006	journal	October 1932
Confined Water Dissociation in Microporous Defective Silicates: Mechanism, Dipole Distribution, and Impact on Substrate Properties Manzano, Hegoi; Moeini, Sina; Marinelli, Francis Journal of the American Chemical Society, Vol. 134, Issue 4 https://doi.org/10.1021/ja209152n	journal	January 2012
ReaxFF: A Reactive Force Field for Hydrocarbons van Duin, Adri C. T.; Dasgupta, Siddharth; Lorant, Francois The Journal of Physical Chemistry A, Vol. 105, Issue 41 https://doi.org/10.1021/jp004368u	journal	October 2001
Split-Step Eigenvector-Following Technique for Exploring Enthalpy Landscapes at Absolute Zero Mauro, John C.; Loucks, Roger J.; Balakrishnan, Jitendra The Journal of Physical Chemistry B, Vol. 110, Issue 10 https://doi.org/10.1021/jp056803w	journal	March 2006
Molecular-Dynamics-Based Study of the Collisions of Hyperthermal Atomic Oxygen with Graphene Using the ReaxFF Reactive Force Field Goverapet Srinivasan, Sriram; van Duin, Adri C. T. The Journal of Physical Chemistry A, Vol. 115, Issue 46 https://doi.org/10.1021/jp207179x	journal	November 2011
Direct Imaging of a Two-Dimensional Silica Glass on Graphene Huang, Pinshane Y.; Kurasch, Simon; Srivastava, Anchal Nano Letters, Vol. 12, Issue 2 https://doi.org/10.1021/nl204423x	journal	January 2012
Signatures of distinct dynamical regimes in the energy landscape of a glass-forming liquid Sastry, Srikanth; Debenedetti, Pablo G.; Stillinger, Frank H. Nature, Vol. 393, Issue 6685 https://doi.org/10.1038/31189	journal	June 1998
Supercooled liquids and the glass transition Debenedetti, Pablo G.; Stillinger, Frank H. Nature, Vol. 410, Issue 6825 https://doi.org/10.1038/35065704	journal	March 2001
Radiation-induced amorphization resistance and radiation tolerance in structurally related oxides Sickafus, Kurt E.; Grimes, Robin W.; Valdez, James A. Nature Materials, Vol. 6, Issue 3 https://doi.org/10.1038/nmat1842	journal	February 2007
The ReaxFF reactive force-field: development, applications and future directions Senftle, Thomas P.; Hong, Sungwook; Islam, Md Mahbubul npj Computational Materials, Vol. 2, Issue 1 https://doi.org/10.1038/npjcompumats.2015.11	journal	March 2016
Direct Experimental Evidence for Differing Reactivity Alterations of Minerals following Irradiation: The Case of Calcite and Quartz Pignatelli, Isabella; Kumar, Aditya; Field, Kevin G. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep20155	journal	January 2016
Accessing Forbidden Glass Regimes through High-Pressure Sub-Tg Annealing Svenson, Mouritz N.; Mauro, John C.; Rzoska, Sylwester J. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep46631	journal	April 2017
Dynamic annealing in III-nitrides under ion bombardment Kucheyev, S. O.; Williams, J. S.; Zou, J. Journal of Applied Physics, Vol. 95, Issue 6 https://doi.org/10.1063/1.1649459	journal	March 2004
Defect Structure and Density Decrease in Neutron‐Irradiated Quartz Weissmann, Sigmund; Nakajima, Koichi Journal of Applied Physics, Vol. 34, Issue 3 https://doi.org/10.1063/1.1729317	journal	March 1963
Polymorphic transitions in single crystals: A new molecular dynamics method Parrinello, M.; Rahman, A. Journal of Applied Physics, Vol. 52, Issue 12 https://doi.org/10.1063/1.328693	journal	December 1981
Structural, vibrational, and thermal properties of densified silicates: Insights from molecular dynamics Bauchy, M. The Journal of Chemical Physics, Vol. 137, Issue 4 https://doi.org/10.1063/1.4738501	journal	July 2012
Nature of radiation-induced defects in quartz Wang, Bu; Yu, Yingtian; Pignatelli, Isabella The Journal of Chemical Physics, Vol. 143, Issue 2 https://doi.org/10.1063/1.4926527	journal	July 2015
Unique effects of thermal and pressure histories on glass hardness: Structural and topological origin Smedskjaer, Morten M.; Bauchy, Mathieu; Mauro, John C. The Journal of Chemical Physics, Vol. 143, Issue 16 https://doi.org/10.1063/1.4934540	journal	October 2015
Irradiation- vs. vitrification-induced disordering: The case of 𝜶 -quartz and glassy silica Krishnan, N. M. Anoop; Wang, Bu; Le Pape, Yann The Journal of Chemical Physics, Vol. 146, Issue 20 https://doi.org/10.1063/1.4982944	journal	May 2017
The metamict transformation in alpha-quartz Pascucci, M. R.; Hutchison, J. L.; Hobbs, L. W. Radiation Effects, Vol. 74, Issue 1-4 https://doi.org/10.1080/00337578308218415	journal	January 1983
Disorder processes in A ³⁺ B ³⁺ O ₃ compounds: implications for radiation tolerance Levy, Mark R.; Grimes, Robin W.; Sickafus, Kurt E. Philosophical Magazine, Vol. 84, Issue 6 https://doi.org/10.1080/1478643032000158297	journal	February 2004
Neutron diffraction by germania, silica and radiation-damaged silica glasses Lorch, E. Journal of Physics C: Solid State Physics, Vol. 2, Issue 2 https://doi.org/10.1088/0022-3719/2/2/305	journal	February 1969
Innovative materials for fusion power plant structures: separating functions Stoneham, A. M.; Matthews, J. R.; Ford, I. J. Journal of Physics: Condensed Matter, Vol. 16, Issue 27 https://doi.org/10.1088/0953-8984/16/27/001	journal	June 2004
Understanding resistance to amorphization by radiation damage Trachenko, Kostya Journal of Physics: Condensed Matter, Vol. 16, Issue 49 https://doi.org/10.1088/0953-8984/16/49/R03	journal	November 2004
Fast-Neutron-Induced Changes in Quartz and Vitreous Silica Primak, William Physical Review, Vol. 110, Issue 6 https://doi.org/10.1103/PhysRev.110.1240	journal	June 1958
Canonical dynamics: Equilibrium phase-space distributions Hoover, William G. Physical Review A, Vol. 31, Issue 3 https://doi.org/10.1103/PhysRevA.31.1695	journal	March 1985
Molecular dynamics simulation of disordered zircon Devanathan, R.; Corrales, L. R.; Weber, W. J. Physical Review B, Vol. 69, Issue 6 https://doi.org/10.1103/PhysRevB.69.064115	journal	February 2004
Oxygen Self-Diffusion in α -Quartz Roma, Guido; Limoge, Yves; Baroni, Stefano Physical Review Letters, Vol. 86, Issue 20 https://doi.org/10.1103/PhysRevLett.86.4564	journal	May 2001
Structure of Neutron-Irradiated Quartz and Vitreous Silica Simon, Ivan Journal of the American Ceramic Society, Vol. 40, Issue 5 https://doi.org/10.1111/j.1151-2916.1957.tb12593.x	journal	May 1957
Through a Glass, Darkly: Dispelling Three Common Misconceptions in Glass Science Mauro, John C. International Journal of Applied Glass Science, Vol. 2, Issue 4 https://doi.org/10.1111/j.2041-1294.2011.00069.x	journal	November 2011
Radiation Tolerance of Complex Oxides Sickafus, K. E. Science, Vol. 289, Issue 5480 https://doi.org/10.1126/science.289.5480.748	journal	August 2000
Radiation-induced defects and amorphization in zircon Weber, W. J. Journal of Materials Research, Vol. 5, Issue 11 https://doi.org/10.1557/JMR.1990.2687	journal	November 1990

Similar Records

Irradiation- vs. vitrification-induced disordering: The case of α-quartz and glassy silica

Journal Article · Tue May 23 00:00:00 UTC 2017 · Journal of Chemical Physics · OSTI ID:1394539

Krishnan, N. M. Anoop; Wang, Bu; Le Pape, Yann; +2 more

Spurious regulatory connections dictate the expression-fitness landscape of translation factors

Journal Article · Thu Apr 01 00:00:00 UTC 2021 · Molecular Systems Biology · OSTI ID:1815899

Lalanne, Jean‐Benoît; Parker, Darren J.; Li, Gene‐Wei

Disorder on the landscape

Journal Article · Thu May 15 04:00:00 UTC 2008 · Journal of Cosmology and Astroparticle Physics · OSTI ID:22156637

Podolsky, Dmitry; Jokela, Niko; Majumder, Jaydeep

Related Subjects

36 MATERIALS SCIENCE

Title: Enthalpy Landscape Dictates the Irradiation-Induced Disordering of Quartz

Citation Formats

References (47)

Similar Records

Related Subjects