Mechanism for amorphization of boron carbide B4C under uniaxial compression

Aryal, Sitaram; Rulis, Paul; Ching, W. Y.

doi:10.1103/PhysRevB.84.184112

Title: Mechanism for amorphization of boron carbide B₄C under uniaxial compression

Authors:: Aryal, Sitaram; Rulis, Paul; Ching, W. Y.

Publication Date:: Mon Nov 28 00:00:00 EST 2011

Sponsoring Org.:: USDOE

OSTI Identifier:: 1101259

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 84 Journal Issue: 18; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Aryal, Sitaram, Rulis, Paul, and Ching, W. Y. Mechanism for amorphization of boron carbide B4C under uniaxial compression.  United States: N. p., 2011. 
Web.  doi:10.1103/PhysRevB.84.184112.

Copy to clipboard


                    Aryal, Sitaram, Rulis, Paul, & Ching, W. Y. Mechanism for amorphization of boron carbide B4C under uniaxial compression.  United States.  https://doi.org/10.1103/PhysRevB.84.184112

Copy to clipboard


                    Aryal, Sitaram, Rulis, Paul, and Ching, W. Y. Mon .  
"Mechanism for amorphization of boron carbide B4C under uniaxial compression".  United States.  https://doi.org/10.1103/PhysRevB.84.184112.

Copy to clipboard


                    
@article{osti_1101259,

  title        = {Mechanism for amorphization of boron carbide B4C under uniaxial compression},

  author       = {Aryal, Sitaram and Rulis, Paul and Ching, W. Y.},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.84.184112},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 18,

  volume       = 84,

  place        = {United States},

  year         = {Mon Nov 28 00:00:00 EST 2011},

  month        = {Mon Nov 28 00:00:00 EST 2011}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.84.184112

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 60 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Room temperature single crystal elastic constants of boron carbide
journal, January 2001

McClellan, K. J.; Chu, F.; Roper, J. M.
Journal of Materials Science, Vol. 36, Issue 14, p. 3403-3407
DOI: 10.1023/A:1017947625784

Optical Interband Transitions of Boron Carbide
journal, August 1992

Werheit, H.; Laux, M.; Kuhlmann, U.
physica status solidi (b), Vol. 172, Issue 2
DOI: 10.1002/pssb.2221720233

Ab initio study of the physical properties of $γ {-Al}_{2} O_{3}$ : Lattice dynamics, bulk properties, electronic structure, bonding, optical properties, and ELNES/XANES spectra
journal, July 2008

Ching, W. Y.; Ouyang, Lizhi; Rulis, Paul
Physical Review B, Vol. 78, Issue 1
DOI: 10.1103/PhysRevB.78.014106

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

$Ab initio$ investigation of hydrogen bonding and network structure in a supercooled model of water
journal, January 2011

Liang, Lei; Rulis, Paul; Ouyang, Lizhi
Physical Review B, Vol. 83, Issue 2
DOI: 10.1103/PhysRevB.83.024201

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

Raman spectroscopy of pressure-induced amorphous boron carbide
journal, March 2006

Yan, X. Q.; Li, W. J.; Goto, T.
Applied Physics Letters, Vol. 88, Issue 13
DOI: 10.1063/1.2189826

Gap-state related photoluminescence in boron carbide
journal, October 2010

Werheit, Helmut; Rotter, Heinz W.; Shalamberidze, Sulkhan
physica status solidi (b), Vol. 248, Issue 5
DOI: 10.1002/pssb.201046342

Theoretical Studies of the Electronic Properties of Ceramic Materials
journal, November 1990

Ching, W. Y.
Journal of the American Ceramic Society, Vol. 73, Issue 11
DOI: 10.1111/j.1151-2916.1990.tb06430.x

Electronic structure, bonding, charge distribution, and x-ray absorption spectra of the (001) surfaces of fluorapatite and hydroxyapatite from first principles
journal, December 2007

Rulis, Paul; Yao, Hongzhi; Ouyang, Lizhi
Physical Review B, Vol. 76, Issue 24
DOI: 10.1103/PhysRevB.76.245410

Mechanical properties, electronic structure and bonding of α- and β-tricalcium phosphates with surface characterization
journal, September 2010

Liang, L.; Rulis, P.; Ching, W. Y.
Acta Biomaterialia, Vol. 6, Issue 9
DOI: 10.1016/j.actbio.2010.03.033

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

Shock compression behaviors of boron carbide (B[sub 4]C)
journal, January 2006

Zhang, Y.; Mashimo, T.; Uemura, Y.
Journal of Applied Physics, Vol. 100, Issue 11
DOI: 10.1063/1.2399334

In Situ Monitoring of Structural Changes in Boron Carbide Under Electric Fields
journal, August 2008

Fanchini, Giovanni; Gupta, Varun; Mann, Adrian B.
Journal of the American Ceramic Society, Vol. 91, Issue 8
DOI: 10.1111/j.1551-2916.2008.02488.x

Behavior of Disordered Boron Carbide under Stress
journal, July 2006

Fanchini, Giovanni; McCauley, James W.; Chhowalla, Manish
Physical Review Letters, Vol. 97, Issue 3
DOI: 10.1103/PhysRevLett.97.035502

Characterization and evaluation of boron carbide for plate-impact conditions
journal, November 2006

Holmquist, T. J.; Johnson, G. R.
Journal of Applied Physics, Vol. 100, Issue 9
DOI: 10.1063/1.2362979

Depressurization Amorphization of Single-Crystal Boron Carbide
journal, February 2009

Yan, X. Q.; Tang, Z.; Zhang, L.
Physical Review Letters, Vol. 102, Issue 7
DOI: 10.1103/PhysRevLett.102.075505

Observation of Inverted-Molecular Compression in Boron Carbide
journal, March 1995

Nelmes, R. J.; Loveday, J. S.; Wilson, R. M.
Physical Review Letters, Vol. 74, Issue 12
DOI: 10.1103/PhysRevLett.74.2268

The structural evolution of boron carbide via ab initio calculations
journal, December 2007

Saal, James E.; Shang, Shunli; Liu, Zi-Kui
Applied Physics Letters, Vol. 91, Issue 23
DOI: 10.1063/1.2818661

Theoretical study of the elasticity, mechanical behavior, electronic structure, interatomic bonding, and dielectric function of an intergranular glassy film model in prismatic $β {-Si}_{3} N_{4}$
journal, June 2010

Ching, W. Y.; Rulis, Paul; Ouyang, Lizhi
Physical Review B, Vol. 81, Issue 21
DOI: 10.1103/PhysRevB.81.214120

Nanoindentation and Raman spectroscopy studies of boron carbide single crystals
journal, November 2002

Domnich, Vladislav; Gogotsi, Yury; Trenary, Michael
Applied Physics Letters, Vol. 81, Issue 20
DOI: 10.1063/1.1521580

Strain-induced formation of carbon and boron clusters in boron carbide during dynamic indentation
journal, August 2007

Ghosh, Dipankar; Subhash, Ghatu; Lee, Chee Huei
Applied Physics Letters, Vol. 91, Issue 6
DOI: 10.1063/1.2768316

Self-consistent calculations of the energy bands and bonding properties of $B_{12}$ $C_{3}$
journal, July 1990

Bylander, D. M.; Kleinman, Leonard; Lee, Seongbok
Physical Review B, Vol. 42, Issue 2
DOI: 10.1103/PhysRevB.42.1394

Structure and bonding in crystalline boron and B ₁₂ C ₃
journal, January 1982

Bullett, D. W.
Journal of Physics C: Solid State Physics, Vol. 15, Issue 3
DOI: 10.1088/0022-3719/15/3/008

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Kresse, G.; Hafner, J.
Physical Review B, Vol. 47, Issue 1, p. 558-561
DOI: 10.1103/PhysRevB.47.558

Fundamental studies on the structures and properties of some $B_{12}$ -based crystals
journal, December 1995

Li, Dong; Ching, W. Y.
Physical Review B, Vol. 52, Issue 24
DOI: 10.1103/PhysRevB.52.17073

Dynamic behavior of boron carbide
journal, April 2004

Vogler, T. J.; Reinhart, W. D.; Chhabildas, L. C.
Journal of Applied Physics, Vol. 95, Issue 8
DOI: 10.1063/1.1686902

First-Principles Calculation of Stress
journal, February 1983

Nielsen, O. H.; Martin, Richard M.
Physical Review Letters, Vol. 50, Issue 9
DOI: 10.1103/PhysRevLett.50.697

Complex Nonlinear Deformation of Nanometer Intergranular Glassy Films in $β − {Si}_{3} N_{4}$
journal, December 2005

Chen, Jun; Ouyang, Lizhi; Rulis, Paul
Physical Review Letters, Vol. 95, Issue 25
DOI: 10.1103/PhysRevLett.95.256103

Atomic Structure and Vibrational Properties of Icosahedral $B_{4} C$ Boron Carbide
journal, October 1999

Lazzari, R.; Vast, N.; Besson, J. M.
Physical Review Letters, Vol. 83, Issue 16
DOI: 10.1103/PhysRevLett.83.3230

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies
journal, October 1955

Mulliken, R. S.
The Journal of Chemical Physics, Vol. 23, Issue 10
DOI: 10.1063/1.1740589

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
journal, October 1955

Mulliken, R. S.
The Journal of Chemical Physics, Vol. 23, Issue 10
DOI: 10.1063/1.1740588

Boron carbide—A comprehensive review
journal, January 1990

Thévenot, Francois
Journal of the European Ceramic Society, Vol. 6, Issue 4
DOI: 10.1016/0955-2219(90)90048-K

Shock-Induced Localized Amorphization in Boron Carbide
journal, March 2003

Chen, M.
Science, Vol. 299, Issue 5612
DOI: 10.1126/science.1080819

Dynamic properties of ceramic materials
report, February 1995

Grady, D. E.
DOI: 10.2172/72964

Structural damage in boron carbide under contact loading
journal, August 2004

Ge, D.; Domnich, V.; Juliano, T.
Acta Materialia, Vol. 52, Issue 13
DOI: 10.1016/j.actamat.2004.05.007

Metallicity of boron carbides at high pressure
journal, March 2010

Dekura, Haruhiko; Shirai, Koun; Yanase, Akira
Journal of Physics: Conference Series, Vol. 215
DOI: 10.1088/1742-6596/215/1/012117

Similar Records in DOE PAGES and OSTI.GOV collections:

Mechanism for amorphization of boron carbide B{sub 4}C under uniaxial compression

Journal Article Aryal, Sitaram ; Rulis, Paul ; Ching, W Y - Physical Review. B, Condensed Matter and Materials Physics

Boron carbide undergoes an amorphization transition under high-velocity impacts, causing it to suffer a catastrophic loss in strength. The failure mechanism is not clear and this limits the ways to improve its resistance to impact. To help uncover the failure mechanism, we used ab initio methods to carry out large-scale uniaxial compression simulations on two polytypes of stoichiometric boron carbide (B{sub 4}C), B{sub 11}C-CBC, and B{sub 12}-CCC, where B{sub 11}C or B{sub 12} is the 12-atom icosahedron and CBC or CCC is the three-atom chain. The simulations were performed on large supercells of 180 atoms. Our results indicate that themore »« less
https://doi.org/10.1103/PHYSREVB.84.184112
Shock compression behavior of boron carbide (B{sub 4}C)

Journal Article Mashimo, T ; Uchino, M - AIP Conference Proceedings

Shock compression behavior of a highly dense, pure B{sub 4}C polycrystal was investigated using a powder gun by means of both the inclined-mirror and flat-mirror methods. Despite of the low density, the Hugoniot-elastic limit was found to be very high. Jagged profiles of moving free surface in plastic region in mm scale were observed by both methods. It was suggested that this fact reflected a heterogeneous shock-yielding phenomenon, and further indicated that cracks played an important role in the elastoplastic transition under shock compression of B{sub 4}C. {copyright} {ital 1996 American Institute of Physics.}
https://doi.org/10.1063/1.50653
The mean grain size determination of boron carbide (B{sub 4}C)-aluminium (Al) and boron carbide (B{sub 4}C)-nickel (Ni) composites by ultrasonic velocity technique

Journal Article Unal, Ridvan ; Sarpuen, Ismail H ; Yalim, H Ali ; ... - Materials Characterization

In this study, the mean grain size of ceramic-metal composites, made from boron carbide (B{sub 4}C)-aluminium (Al)-nickel (Ni) powders, has been determined with ultrasonic velocity technique by using a 2 MHz transducer. An ultrasonic velocity-grain size master graph was plotted using a 4 MHz ultrasonic transducer. The results were compared to the mean grain size obtained from SEM (Scanning Electron Microscopy) images.
https://doi.org/10.1016/j.matchar.2005.11.006
Boron-carbide-aluminum and boron-carbide-reactive metal cermets. [B/sub 4/C-Al]

Patent Halverson, D C ; Pyzik, A J ; Aksay, I A

Hard, tough, lighweight boron-carbide-reactive metal composites, particularly boron-carbide-aluminum composites, are produced. These composites have compositions with a plurality of phases. A method is provided, including the steps of wetting and reacting the starting materials, by which the microstructures in the resulting composites can be controllably selected. Starting compositions, reaction temperatures, reaction times, and reaction atmospheres are parameters for controlling the process and resulting compositions. The ceramic phases are homogeneously distributed in the metal phases and adhesive forces at ceramic-metal interfaces are maximized. An initial consolidated step is used to achieve fully dense composites. Microstructures of boron-carbide-aluminum cermets have been producedmore »« less
Ternary rare earth metal boride carbides containing two-dimensional boron-carbon network: The crystal and electronic structure of R{sub 2}B{sub 4}C (R=Tb, Dy, Ho, Er)

Journal Article Babizhetskyy, Volodymyr ; Chong, Zheng ; Mattausch, Hansjuergen ; ... - Journal of Solid State Chemistry

The ternary rare earth boride carbides R{sub 2}B{sub 4}C (R=Tb, Dy, Ho, Er) have been synthesized by reacting the elements at temperatures between 1800 and 2000K. The crystal structure of Dy{sub 2}B{sub 4}C has been determined from single-crystal X-ray diffraction data. It crystallizes in a new structure type in the orthorhombic space group Immm (a=3.2772(6) A, b=6.567(2) A, c=7.542(1) A, Z=2, R1=0.035 (wR{sub 2}=0.10) for 224 reflections with I{sub o}>2{sigma}(I{sub o})). Boron atoms form infinite chains of fused B{sub 6} rings in [100] joined with carbon atoms into planar, two-dimensional networks which alternate with planar sheets of rare earth metalmore »« less
https://doi.org/10.1016/j.jssc.2007.10.014

Similar Records

Title: Mechanism for amorphization of boron carbide B4C under uniaxial compression

Citation Formats

Room temperature single crystal elastic constants of boron carbide journal, January 2001

Optical Interband Transitions of Boron Carbide journal, August 1992

Ab initio study of the physical properties of γ -Al 2 O 3 : Lattice dynamics, bulk properties, electronic structure, bonding, optical properties, and ELNES/XANES spectra journal, July 2008

Projector augmented-wave method journal, December 1994

Ab initio investigation of hydrogen bonding and network structure in a supercooled model of water journal, January 2011

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Raman spectroscopy of pressure-induced amorphous boron carbide journal, March 2006

Gap-state related photoluminescence in boron carbide journal, October 2010

Theoretical Studies of the Electronic Properties of Ceramic Materials journal, November 1990

Electronic structure, bonding, charge distribution, and x-ray absorption spectra of the (001) surfaces of fluorapatite and hydroxyapatite from first principles journal, December 2007

Mechanical properties, electronic structure and bonding of α- and β-tricalcium phosphates with surface characterization journal, September 2010

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Shock compression behaviors of boron carbide (B[sub 4]C) journal, January 2006

In Situ Monitoring of Structural Changes in Boron Carbide Under Electric Fields journal, August 2008

Behavior of Disordered Boron Carbide under Stress journal, July 2006

Characterization and evaluation of boron carbide for plate-impact conditions journal, November 2006

Depressurization Amorphization of Single-Crystal Boron Carbide journal, February 2009

Observation of Inverted-Molecular Compression in Boron Carbide journal, March 1995

The structural evolution of boron carbide via ab initio calculations journal, December 2007

Theoretical study of the elasticity, mechanical behavior, electronic structure, interatomic bonding, and dielectric function of an intergranular glassy film model in prismatic β -Si 3 N 4 journal, June 2010

Nanoindentation and Raman spectroscopy studies of boron carbide single crystals journal, November 2002

Strain-induced formation of carbon and boron clusters in boron carbide during dynamic indentation journal, August 2007

Self-consistent calculations of the energy bands and bonding properties of B 12 C 3 journal, July 1990

Structure and bonding in crystalline boron and B 12 C 3 journal, January 1982

Ab initiomolecular dynamics for liquid metals journal, January 1993

Fundamental studies on the structures and properties of some B 12 -based crystals journal, December 1995

Dynamic behavior of boron carbide journal, April 2004

First-Principles Calculation of Stress journal, February 1983

Complex Nonlinear Deformation of Nanometer Intergranular Glassy Films in β − Si 3 N 4 journal, December 2005

Atomic Structure and Vibrational Properties of Icosahedral B 4 C Boron Carbide journal, October 1999

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies journal, October 1955

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I journal, October 1955

Boron carbide—A comprehensive review journal, January 1990

Shock-Induced Localized Amorphization in Boron Carbide journal, March 2003

Dynamic properties of ceramic materials report, February 1995

Structural damage in boron carbide under contact loading journal, August 2004

Metallicity of boron carbides at high pressure journal, March 2010

Title: Mechanism for amorphization of boron carbide B₄C under uniaxial compression

Room temperature single crystal elastic constants of boron carbide
journal, January 2001

Optical Interband Transitions of Boron Carbide
journal, August 1992

Ab initio study of the physical properties of $γ {-Al}_{2} O_{3}$ : Lattice dynamics, bulk properties, electronic structure, bonding, optical properties, and ELNES/XANES spectra
journal, July 2008

Projector augmented-wave method
journal, December 1994

$Ab initio$ investigation of hydrogen bonding and network structure in a supercooled model of water
journal, January 2011

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Raman spectroscopy of pressure-induced amorphous boron carbide
journal, March 2006

Gap-state related photoluminescence in boron carbide
journal, October 2010

Theoretical Studies of the Electronic Properties of Ceramic Materials
journal, November 1990

Electronic structure, bonding, charge distribution, and x-ray absorption spectra of the (001) surfaces of fluorapatite and hydroxyapatite from first principles
journal, December 2007

Mechanical properties, electronic structure and bonding of α- and β-tricalcium phosphates with surface characterization
journal, September 2010

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Shock compression behaviors of boron carbide (B[sub 4]C)
journal, January 2006

In Situ Monitoring of Structural Changes in Boron Carbide Under Electric Fields
journal, August 2008

Behavior of Disordered Boron Carbide under Stress
journal, July 2006

Characterization and evaluation of boron carbide for plate-impact conditions
journal, November 2006

Depressurization Amorphization of Single-Crystal Boron Carbide
journal, February 2009

Observation of Inverted-Molecular Compression in Boron Carbide
journal, March 1995

The structural evolution of boron carbide via ab initio calculations
journal, December 2007

Theoretical study of the elasticity, mechanical behavior, electronic structure, interatomic bonding, and dielectric function of an intergranular glassy film model in prismatic $β {-Si}_{3} N_{4}$
journal, June 2010

Nanoindentation and Raman spectroscopy studies of boron carbide single crystals
journal, November 2002

Strain-induced formation of carbon and boron clusters in boron carbide during dynamic indentation
journal, August 2007

Self-consistent calculations of the energy bands and bonding properties of $B_{12}$ $C_{3}$
journal, July 1990

Structure and bonding in crystalline boron and B ₁₂ C ₃
journal, January 1982

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Fundamental studies on the structures and properties of some $B_{12}$ -based crystals
journal, December 1995

Dynamic behavior of boron carbide
journal, April 2004

First-Principles Calculation of Stress
journal, February 1983

Complex Nonlinear Deformation of Nanometer Intergranular Glassy Films in $β − {Si}_{3} N_{4}$
journal, December 2005

Atomic Structure and Vibrational Properties of Icosahedral $B_{4} C$ Boron Carbide
journal, October 1999

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies
journal, October 1955

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
journal, October 1955

Boron carbide—A comprehensive review
journal, January 1990

Shock-Induced Localized Amorphization in Boron Carbide
journal, March 2003

Dynamic properties of ceramic materials
report, February 1995

Structural damage in boron carbide under contact loading
journal, August 2004

Metallicity of boron carbides at high pressure
journal, March 2010