Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1364217
- Grant/Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Name: Physical Review Materials Journal Volume: 1 Journal Issue: 1; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Toher, Cormac, Oses, Corey, Plata, Jose J., Hicks, David, Rose, Frisco, Levy, Ohad, de Jong, Maarten, Asta, Mark, Fornari, Marco, Buongiorno Nardelli, Marco, and Curtarolo, Stefano. Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids. United States: N. p., 2017.
Web. doi:10.1103/PhysRevMaterials.1.015401.
Toher, Cormac, Oses, Corey, Plata, Jose J., Hicks, David, Rose, Frisco, Levy, Ohad, de Jong, Maarten, Asta, Mark, Fornari, Marco, Buongiorno Nardelli, Marco, & Curtarolo, Stefano. Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids. United States. https://doi.org/10.1103/PhysRevMaterials.1.015401
Toher, Cormac, Oses, Corey, Plata, Jose J., Hicks, David, Rose, Frisco, Levy, Ohad, de Jong, Maarten, Asta, Mark, Fornari, Marco, Buongiorno Nardelli, Marco, and Curtarolo, Stefano. Mon .
"Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids". United States. https://doi.org/10.1103/PhysRevMaterials.1.015401.
@article{osti_1364217,
title = {Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids},
author = {Toher, Cormac and Oses, Corey and Plata, Jose J. and Hicks, David and Rose, Frisco and Levy, Ohad and de Jong, Maarten and Asta, Mark and Fornari, Marco and Buongiorno Nardelli, Marco and Curtarolo, Stefano},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.1.015401},
journal = {Physical Review Materials},
number = 1,
volume = 1,
place = {United States},
year = {Mon Jun 19 00:00:00 EDT 2017},
month = {Mon Jun 19 00:00:00 EDT 2017}
}
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https://doi.org/10.1103/PhysRevMaterials.1.015401
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Cited by: 46 works
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Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Intrinsic lattice thermal conductivity of semiconductors from first principles
journal, December 2007
- Broido, D. A.; Malorny, M.; Birner, G.
- Applied Physics Letters, Vol. 91, Issue 23
On the scaling factor in Debye–Grüneisen model: A case study of the Mg–Zn binary system
journal, February 2015
- Liu, Xuan L.; VanLeeuwen, Brian K.; Shang, Shun-Li
- Computational Materials Science, Vol. 98
Poisson's ratio and modern materials
journal, October 2011
- Greaves, G. N.; Greer, A. L.; Lakes, R. S.
- Nature Materials, Vol. 10, Issue 11
Metadata management for distributed first principles calculations in VLab—A collaborative cyberinfrastructure for materials computation
journal, February 2008
- da Silveira, Pedro R. C.; da Silva, Cesar R. S.; Wentzcovitch, Renata M.
- Computer Physics Communications, Vol. 178, Issue 3
Ab initio thermal transport in compound semiconductors
journal, April 2013
- Lindsay, L.; Broido, D. A.; Reinecke, T. L.
- Physical Review B, Vol. 87, Issue 16
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Bulk Modulus-Volume Relationship in Ternary Chalcopyrite Compounds
journal, August 1986
- Neumann, H.
- physica status solidi (a), Vol. 96, Issue 2
Elastic constants of PbSe
journal, August 1971
- Lippmann, G.; Kästner, P.; Wanninger, W.
- Physica Status Solidi (a), Vol. 6, Issue 2
The elastic constants of cassiterite SnO 2 and their pressure and temperature dependence
journal, June 1975
- Chang, E.; Graham, E. K.
- Journal of Geophysical Research, Vol. 80, Issue 17
Uncovering Compounds by Synergy of Cluster Expansion and High-Throughput Methods
journal, April 2010
- Levy, Ohad; Hart, Gus L. W.; Curtarolo, Stefano
- Journal of the American Chemical Society, Vol. 132, Issue 13
Intrinsic phonon relaxation times from first-principles studies of the thermal conductivities of Si and Ge
journal, February 2010
- Ward, A.; Broido, D. A.
- Physical Review B, Vol. 81, Issue 8
The AFLOW Library of Crystallographic Prototypes: Part 1
journal, August 2017
- Mehl, Michael J.; Hicks, David; Toher, Cormac
- Computational Materials Science, Vol. 136
High-Temperature Shear Modulus of Si3N4 and SiC
journal, January 1974
- Fate, W. A.
- Journal of the American Ceramic Society, Vol. 57, Issue 1
The Elastic Behaviour of a Crystalline Aggregate
journal, May 1952
- Hill, R.
- Proceedings of the Physical Society. Section A, Vol. 65, Issue 5
Study of the Thermoelectric Properties of Lead Selenide Doped with Boron, Gallium, Indium, or Thallium
journal, October 2012
- Zhang, Qian; Cao, Feng; Lukas, Kevin
- Journal of the American Chemical Society, Vol. 134, Issue 42
Lattice Thermal Conductivity of Mercury Selenide
journal, May 1973
- Whitsett, Charles R.; Nelson, Donald A.; Broerman, J. G.
- Physical Review B, Vol. 7, Issue 10
Debye temperatures and cohesive properties
journal, August 1975
- Abrahams, S. C.; Hsu, F. S. L.
- The Journal of Chemical Physics, Vol. 63, Issue 3
Grüneisen parameters of τ phonons in CdSiP2, CuAlS2 and CuGaS2
journal, January 1975
- Bettini, M.; Holzapfel, W. B.
- Solid State Communications, Vol. 16, Issue 1
Thermal conductivity of SnO 2 single crystals
journal, September 1980
- Turkes, P.; Pluntke, Ch; Helbig, R.
- Journal of Physics C: Solid State Physics, Vol. 13, Issue 26
Sound Velocities and Elastic Moduli in CuInTe2 and CuInSe2
journal, November 1990
- Fernández, B.; Wasim, S. M.
- physica status solidi (a), Vol. 122, Issue 1
A RESTful API for exchanging materials data in the AFLOWLIB.org consortium
journal, October 2014
- Taylor, Richard H.; Rose, Frisco; Toher, Cormac
- Computational Materials Science, Vol. 93
Guiding the experimental discovery of magnesium alloys
journal, August 2011
- Taylor, Richard H.; Curtarolo, Stefano; Hart, Gus L. W.
- Physical Review B, Vol. 84, Issue 8
Elastic constants of the layered compounds Gas, GaSe, InSe, and their pressure dependence I. Experimental part
journal, September 1983
- Gatulle, M.; Fischer, M.; Chevy, A.
- physica status solidi (b), Vol. 119, Issue 1
Elastic Constants of Mercury Selenide
journal, December 1969
- Lehoczky, A.; Nelson, Donald A.; Whitsett, Charles R.
- Physical Review, Vol. 188, Issue 3
High-throughput electronic band structure calculations: Challenges and tools
journal, August 2010
- Setyawan, Wahyu; Curtarolo, Stefano
- Computational Materials Science, Vol. 49, Issue 2
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Vibrational Spectroscopy of Aluminum Nitride
journal, May 1993
- McNeil, Laurie E.; Grimsditch, Marcos; French, Roger H.
- Journal of the American Ceramic Society, Vol. 76, Issue 5
High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation
journal, December 2016
- Nath, Pinku; Plata, Jose J.; Usanmaz, Demet
- Computational Materials Science, Vol. 125
Phonon engineering through crystal chemistry
journal, January 2011
- Toberer, Eric S.; Zevalkink, Alex; Snyder, G. Jeffrey
- Journal of Materials Chemistry, Vol. 21, Issue 40
Necessary and sufficient elastic stability conditions in various crystal systems
journal, December 2014
- Mouhat, Félix; Coudert, François-Xavier
- Physical Review B, Vol. 90, Issue 22
GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model
journal, March 2004
- Blanco, M. A.; Francisco, E.; Luaña, V.
- Computer Physics Communications, Vol. 158, Issue 1
Universal compressibility behavior of dense phases
journal, January 1995
- Baonza, Valentín García; Cáceres, Mercedes; Núñez, Javier
- Physical Review B, Vol. 51, Issue 1
Hole contribution to the elastic constants of SnTe
journal, October 1976
- Seddon, T.; Gupta, S. C.; Saunders, G. A.
- Solid State Communications, Vol. 20, Issue 1
Evaluation of the tantalum-titanium phase diagram from ab-initio calculations
journal, November 2016
- Barzilai, S.; Toher, C.; Curtarolo, S.
- Acta Materialia, Vol. 120
Elastic constants and lattice anharmonicity of GaSb and GaP from ultrasonic-velocity measurements between 4.2 and 300 K
journal, April 1975
- Boyle, W. F.; Sladek, R. J.
- Physical Review B, Vol. 11, Issue 8
Phase transformation of AlAs to NiAs structure at high pressure
journal, March 1994
- Greene, Raymond G.; Luo, Huan; Li, Ting
- Physical Review Letters, Vol. 72, Issue 13
Elastic properties of oxides in the NaCl-structure
journal, January 1977
- Chang, Z. P.; Graham, E. K.
- Journal of Physics and Chemistry of Solids, Vol. 38, Issue 12
Elastic Moduli and Phonon Properties of
journal, April 1972
- Jenkins, J. O.; Rayne, J. A.; Ure, R. W.
- Physical Review B, Vol. 5, Issue 8
Temperature and pressure dependence of the crystal structure of InTe: A new high pressure phase of InTe
journal, January 1985
- Chattopadhyay, T.; Santandrea, R. P.; Von Schnering, H. G.
- Journal of Physics and Chemistry of Solids, Vol. 46, Issue 3
Markoff Random Processes and the Statistical Mechanics of Time‐Dependent Phenomena. II. Irreversible Processes in Fluids
journal, March 1954
- Green, Melville S.
- The Journal of Chemical Physics, Vol. 22, Issue 3
Thermal conductivity of diamond nanowires from first principles
journal, May 2012
- Li, Wu; Mingo, Natalio; Lindsay, L.
- Physical Review B, Vol. 85, Issue 19
Perspectives on thermoelectrics: from fundamentals to device applications
journal, January 2012
- Zebarjadi, M.; Esfarjani, K.; Dresselhaus, M. S.
- Energy Environ. Sci., Vol. 5, Issue 1, p. 5147-5162
Ordered phases in ruthenium binary alloys from high-throughput first-principles calculations
journal, December 2011
- Jahnátek, Michal; Levy, Ohad; Hart, Gus L. W.
- Physical Review B, Vol. 84, Issue 21
Pressure dependences of the elastic constants of PbTe, SnTe and Ge 0.08 Sn 0.92 Te
journal, April 1981
- Miller, A. J.; Saunders, G. A.; Yogurtcu, Y. K.
- Journal of Physics C: Solid State Physics, Vol. 14, Issue 11
Compression behavior of CdS and BP up to 68 GPa
journal, February 1983
- Suzuki, Toshihiro; Yagi, Takehiko; Akimoto, Syun‐iti
- Journal of Applied Physics, Vol. 54, Issue 2
Elastic constants of corundum up to 1825 K
journal, January 1989
- Goto, Takayasu; Anderson, Orson L.; Ohno, Ichiro
- Journal of Geophysical Research, Vol. 94, Issue B6
Modeling the thermal conductivities of the zinc antimonides ZnSb and Zn Sb
journal, January 2014
- Bjerg, Lasse; Iversen, Bo B.; Madsen, Georg K. H.
- Physical Review B, Vol. 89, Issue 2
Universal features of the equation of state of solids
journal, March 1989
- Vinet, P.; Rose, J. H.; Ferrante, J.
- Journal of Physics: Condensed Matter, Vol. 1, Issue 11
Electronic Effects in the Elastic Constants of -Type Silicon
journal, September 1967
- Hall, John J.
- Physical Review, Vol. 161, Issue 3
High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity
journal, March 2017
- Nath, Pinku; Plata, Jose J.; Usanmaz, Demet
- Scripta Materialia, Vol. 129
Thermal conductivities of some novel nonlinear optical materials
journal, January 1994
- Beasley, J. Donald
- Applied Optics, Vol. 33, Issue 6
Dynamics of an Inhomogeneously Coarse Grained Multiscale System
journal, June 2002
- Curtarolo, Stefano; Ceder, Gerbrand
- Physical Review Letters, Vol. 88, Issue 25
Some Elastic Constants of Silicon Carbide
journal, February 1965
- Arlt, G.; Schodder, G. R.
- The Journal of the Acoustical Society of America, Vol. 37, Issue 2
Elastic Constants of Indium Antimonide from 4.2°K to 300°K
journal, January 1959
- Slutsky, L. J.; Garland, C. W.
- Physical Review, Vol. 113, Issue 1
Thermal expansion of some diamondlike crystals
journal, January 1975
- Slack, Glen A.; Bartram, S. F.
- Journal of Applied Physics, Vol. 46, Issue 1
Thermal conductivity of bulk and nanowire Mg Si Sn alloys from first principles
journal, November 2012
- Li, Wu; Lindsay, L.; Broido, D. A.
- Physical Review B, Vol. 86, Issue 17
Influence of Ball-Milling, Nanostructuring, and Ag Inclusions on Thermoelectric Properties of ZnSb
journal, June 2010
- Böttger, P. H. Michael; Valset, Kjetil; Deledda, Stefano
- Journal of Electronic Materials, Vol. 39, Issue 9
A high-throughput infrastructure for density functional theory calculations
journal, June 2011
- Jain, Anubhav; Hautier, Geoffroy; Moore, Charles J.
- Computational Materials Science, Vol. 50, Issue 8
Elastic anharmonicity of InP: Its relationship to the high pressure transition
journal, November 1980
- Nichols, D. N.; Rimai, D. S.; Sladek, R. J.
- Solid State Communications, Vol. 36, Issue 8
Specific heat, debye temperature, and belated properties of chalcopyrite semiconducting compounds CuGaSe2, CuGaTe2, and CuInTe2
journal, June 1982
- Bohmhammel, K.; Deus, P.; Kühn, G.
- physica status solidi (a), Vol. 71, Issue 2
ElaStic: A tool for calculating second-order elastic constants from first principles
journal, August 2013
- Golesorkhtabar, Rostam; Pavone, Pasquale; Spitaler, Jürgen
- Computer Physics Communications, Vol. 184, Issue 8
Stability of the wurtzite-type structure under high pressure: GaN and InN
journal, January 1994
- Ueno, Masaki; Yoshida, Minoru; Onodera, Akifumi
- Physical Review B, Vol. 49, Issue 1
Elastic constants of gallium nitride
journal, March 1996
- Polian, A.; Grimsditch, M.; Grzegory, I.
- Journal of Applied Physics, Vol. 79, Issue 6
Elastic Constants of Single‐Crystal Aluminum Antimonide
journal, August 1960
- Bolef, D. I.; Menes, M.
- Journal of Applied Physics, Vol. 31, Issue 8
Structural phase transitions in InSb to 66 GPa
journal, December 1989
- Vanderborgh, Craig A.; Vohra, Yogesh K.; Ruoff, Arthur L.
- Physical Review B, Vol. 40, Issue 18
Elastic Constants of Indium Antimonide
journal, April 1956
- DeVaux, L. H.; Pizzarello, F. A.
- Physical Review, Vol. 102, Issue 1
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
journal, February 2013
- Ong, Shyue Ping; Richards, William Davidson; Jain, Anubhav
- Computational Materials Science, Vol. 68
The New Face of Rhodium Alloys: Revealing Ordered Structures from First Principles
journal, January 2010
- Levy, Ohad; Chepulskii, Roman V.; Hart, Gus L. W.
- Journal of the American Chemical Society, Vol. 132, Issue 2
High pressure X-ray investigations on 3C-SiC
journal, July 1987
- Strössner, K.; Cardona, M.; Choyke, W. J.
- Solid State Communications, Vol. 63, Issue 2
Thermodynamical properties of solids from microscopic theory: applications to MgF2 and Al2O3
journal, September 1996
- Blanco, M. A.; Pendás, A. Martín; Francisco, E.
- Journal of Molecular Structure: THEOCHEM, Vol. 368
Specific heat, Debye temperature, and related properties of compound semiconductors AIIBIVC2v
journal, June 1981
- Bohmhammel, K.; Deus, P.; Schneider, H. A.
- Physica Status Solidi (a), Vol. 65, Issue 2
Lattice thermal conductivity of semiconductors: A chemical bond approach
journal, January 1970
- Spitzer, D. P.
- Journal of Physics and Chemistry of Solids, Vol. 31, Issue 1
Modeling Off-Stoichiometry Materials with a High-Throughput Ab-Initio Approach
journal, September 2016
- Yang, Kesong; Oses, Corey; Curtarolo, Stefano
- Chemistry of Materials, Vol. 28, Issue 18
Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations
journal, February 2014
- He, Lianhua; Liu, Fang; Hautier, Geoffroy
- Physical Review B, Vol. 89, Issue 6
Ordered Structures in Rhenium Binary Alloys from First-Principles Calculations
journal, January 2011
- Levy, Ohad; Jahnátek, Michal; Chepulskii, Roman V.
- Journal of the American Chemical Society, Vol. 133, Issue 1
Quasiharmonic Vibrational Properties of TiNiSn from Ab Initio Phonons
journal, December 2011
- Wee, Daehyun; Kozinsky, Boris; Pavan, Barbara
- Journal of Electronic Materials, Vol. 41, Issue 6
Electronic Effect in the Elastic Constants of Germanium
journal, July 1961
- Bruner, L. J.; Keyes, Robert W.
- Physical Review Letters, Vol. 7, Issue 2
Charting the complete elastic properties of inorganic crystalline compounds
journal, March 2015
- de Jong, Maarten; Chen, Wei; Angsten, Thomas
- Scientific Data, Vol. 2, Issue 1
Elastic Constants of Hexagonal BeO, ZnS, and CdSe
journal, March 1967
- Cline, Carl F.; Dunegan, Harold L.; Henderson, Glenn W.
- Journal of Applied Physics, Vol. 38, Issue 4
First-principles search for -type oxide, nitride, and sulfide thermoelectrics
journal, July 2016
- Garrity, Kevin F.
- Physical Review B, Vol. 94, Issue 4
Comprehensive Search for New Phases and Compounds in Binary Alloy Systems Based on Platinum-Group Metals, Using a Computational First-Principles Approach
journal, December 2013
- Hart, Gus L. W.; Curtarolo, Stefano; Massalski, Thaddeus B.
- Physical Review X, Vol. 3, Issue 4
The preparation and properties of ZnSiAs2, ZnGeP2 and CdGeP2 semiconducting compounds
journal, November 1966
- Masumoto, K.; Isomura, S.; Goto, W.
- Journal of Physics and Chemistry of Solids, Vol. 27, Issue 11-12
Thermal properties of indium nitride
journal, March 1998
- Krukowski, S.; Witek, A.; Adamczyk, J.
- Journal of Physics and Chemistry of Solids, Vol. 59, Issue 3
Virtual laboratory for planetary materials: System service architecture overview
journal, August 2007
- da Silva, Cesar R. S.; da Silveira, Pedro R. C.; Karki, Bijaya
- Physics of the Earth and Planetary Interiors, Vol. 163, Issue 1-4
Elastic Constants of Single‐Crystal Indium Arsenide
journal, September 1963
- Gerlich, D.
- Journal of Applied Physics, Vol. 34, Issue 9
Elastic Constants of ZnTe and ZnSe between 77°–300°K
journal, June 1970
- Lee, B. H.
- Journal of Applied Physics, Vol. 41, Issue 7
Second-order elastic constants of AgCl from 20 to 430°C
journal, March 1996
- Hughes, W. C.; Cain, L. S.
- Physical Review B, Vol. 53, Issue 9
The high-throughput highway to computational materials design
journal, February 2013
- Curtarolo, Stefano; Hart, Gus L. W.; Nardelli, Marco Buongiorno
- Nature Materials, Vol. 12, Issue 3
The elastic behaviour of mercury telluride
journal, March 1975
- Cottam, R. I.; Saunders, G. A.
- Journal of Physics and Chemistry of Solids, Vol. 36, Issue 3
Correction to the elastic constants of AISb
journal, October 1972
- Weil, Raoul
- Journal of Applied Physics, Vol. 43, Issue 10
Thermal Conductivity of MgO, , Mg , and Crystals from 3° to 300°K
journal, April 1962
- Slack, Glen A.
- Physical Review, Vol. 126, Issue 2
Specific heat of near the Néel temperature
journal, May 1977
- Bruce, Richard H.; Cannell, David S.
- Physical Review B, Vol. 15, Issue 9
Brillouin scattering and elastic moduli of silver thiogallate (AgGa )
journal, November 1975
- Grimsditch, M. H.; Holah, G. D.
- Physical Review B, Vol. 12, Issue 10
Analytic relation between bulk moduli and lattice constants
journal, June 1987
- Lam, Pui K.; Cohen, Marvin L.; Martinez, G.
- Physical Review B, Vol. 35, Issue 17
Measurement of elastic constants and internal frictions on single-crystal MgO by rectangular parallelepiped resonance.
journal, January 1976
- Sumino, Yoshio; Ohno, Ichiro; Goto, Takayasu
- Journal of Physics of the Earth, Vol. 24, Issue 3
Ab initio theory of the lattice thermal conductivity in diamond
journal, September 2009
- Ward, A.; Broido, D. A.; Stewart, Derek A.
- Physical Review B, Vol. 80, Issue 12
Structure maps for hcp metals from first-principles calculations
journal, May 2010
- Levy, Ohad; Hart, Gus L. W.; Curtarolo, Stefano
- Physical Review B, Vol. 81, Issue 17
Study of the elastic properties of gallium nitride
journal, August 1978
- Savastenko, V. A.; Sheleg, A. U.
- Physica Status Solidi (a), Vol. 48, Issue 2
The AFLOW standard for high-throughput materials science calculations
journal, October 2015
- Calderon, Camilo E.; Plata, Jose J.; Toher, Cormac
- Computational Materials Science, Vol. 108
High Thermal Conductivity Materials
journal, June 2001
- Watari, Koji; Shinde, Subhash L.
- MRS Bulletin, Vol. 26, Issue 6
Elastic behaviour of the chalcopyrite CdGeAs 2
journal, March 1982
- Hailing, T.; Saunders, G. A.; Lambson, W. A.
- Journal of Physics C: Solid State Physics, Vol. 15, Issue 7
The elastic constants and distance dependence of the magnetic interactions of Cr2O3
journal, July 1976
- Alberts, H. L.; Boeyens, J. C. A.
- Journal of Magnetism and Magnetic Materials, Vol. 2, Issue 4
Velocity of hypersounds in lithium hydride by spontaneous brillouin scattering
journal, July 1976
- Laplaze, D.; Boissier, M.; Vacher, R.
- Solid State Communications, Vol. 19, Issue 5
Room-Temperature Thermal Conductivity and Grüneisen Parameter of the I–III–VI2 Chalcopyrite Compounds
journal, February 1995
- Rincón, C.; Valeri-Gil, M. L.; Wasim, S. M.
- Physica Status Solidi (a), Vol. 147, Issue 2
Pressure dependence of the elastic constants of PbS
journal, June 1976
- Peresada, G. I.; Ponyatovskii, E. G.; Sokolovskaya, Zh. D.
- Physica Status Solidi (a), Vol. 35, Issue 2
First-principles calculations of structural, elastic, thermodynamic, and electronic properties of anti-perovskites A III CNi3 (A III = Al, Ga, In)
journal, December 2015
- Saadaoui, Fatiha; Driss Khodja, Fatima Zohra; Kadoun, Abd-Ed-Daïm
- The European Physical Journal B, Vol. 88, Issue 12
Brillouin scattering in diamond
journal, April 1975
- Grimsditch, M. H.; Ramdas, A. K.
- Physical Review B, Vol. 11, Issue 8
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013
- Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
- APL Materials, Vol. 1, Issue 1
Elastic, piezoelectric and dielectric properties of ZnO and CdS single crystals in a wide range of temperatures
journal, July 1980
- Kobiakov, I. B.
- Solid State Communications, Vol. 35, Issue 3
First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
journal, July 2013
- Lindsay, L.; Broido, D. A.; Reinecke, T. L.
- Physical Review Letters, Vol. 111, Issue 2, Article No. 025901
AFLOW: An automatic framework for high-throughput materials discovery
journal, June 2012
- Curtarolo, Stefano; Setyawan, Wahyu; Hart, Gus L. W.
- Computational Materials Science, Vol. 58
Elastic constants and refractive index of boron phosphide
journal, April 1984
- Wettling, W.; Windscheif, J.
- Solid State Communications, Vol. 50, Issue 1
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
journal, June 2012
- Curtarolo, Stefano; Setyawan, Wahyu; Wang, Shidong
- Computational Materials Science, Vol. 58
Modeling hardness of polycrystalline materials and bulk metallic glasses
journal, September 2011
- Chen, Xing-Qiu; Niu, Haiyang; Li, Dianzhong
- Intermetallics, Vol. 19, Issue 9
The Effect of Pressure Upon the Elastic Parameters of Isotropic Solids, According to Murnaghan's Theory of Finite Strain
journal, April 1938
- Birch, Francis
- Journal of Applied Physics, Vol. 9, Issue 4
Thermo-elastische Konstanten der Alkalihalogenide vom NaCl-Typ
journal, April 1960
- Hauss�hl, S.
- Zeitschrift f�r Physik, Vol. 159, Issue 2
Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems
journal, June 1957
- Kubo, Ryogo
- Journal of the Physical Society of Japan, Vol. 12, Issue 6
Elastic Moduli of Single‐Crystal Gallium Arsenide
journal, April 1959
- Bateman, T. B.; McSkimin, H. J.; Whelan, J. M.
- Journal of Applied Physics, Vol. 30, Issue 4
Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling
journal, February 2014
- Carrete, Jesús; Li, Wu; Mingo, Natalio
- Physical Review X, Vol. 4, Issue 1