Publications by authors named "MJ Mehl"

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Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery.
Simon Divilov, Hagen Eckert, David Hicks, Corey Oses, Cormac Toher, Michael J Mehl

Nature· January 2024

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Settling the matter of the role of vibrations in the stability of high-entropy carbides.
Marco Esters, Corey Oses, David Hicks, Michael J Mehl, Michal Jahnátek

Nat Commun· September 2021

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Theoretical studies of the vibrational properties of octahedrane (CH): A polyhedral caged hydrocarbon molecule.
Daniel Finkenstadt, Michael J Mehl, Mark R Pederson, Steven L Richardson

J Chem Phys· June 2019

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AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis.
Corey Oses, Eric Gossett, David Hicks, Frisco Rose, Michael J Mehl

J Chem Inf Model· December 2018

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AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals.
David Hicks, Corey Oses, Eric Gossett, Geena Gomez, Richard H Taylor, Michael J Mehl

Acta Crystallogr A Found Adv· May 2018

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Bright triplet excitons in caesium lead halide perovskites.
Michael A Becker, Roman Vaxenburg, Georgian Nedelcu, Peter C Sercel, Andrew Shabaev, Michael J Mehl

Nature· January 2018

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High thermal conductivity of a hydrogenated amorphous silicon film.
Xiao Liu, J L Feldman, D G Cahill, R S Crandall, N Bernstein, M J Mehl

Phys Rev Lett· January 2009

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Ab initio based tight-binding molecular dynamics simulation of the sticking and scattering of O2Pt(111).
A Gross, A Eichler, J Hafner, M J Mehl, D A Papaconstantopoulos

J Chem Phys· May 2006

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Calculation of polarization using a density functional method with localized charge.
LL Boyer, HT Stokes, MJ Mehl

Phys Rev Lett· January 2000

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Spherical self-consistent atomic deformation model for first-principles energy calculations in ionic crystalline solids.
HT Stokes, LL Boyer, MJ Mehl

Phys Rev B Condens Matter· September 1996

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Applications of a tight-binding total-energy method for transition and noble metals: Elastic constants, vacancies, and surfaces of monatomic metals.
MJ Mehl, DA Papaconstantopoulos

Phys Rev B Condens Matter· August 1996

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Tight-binding total-energy method for transition and noble metals.
RE Cohen, MJ Mehl, DA Papaconstantopoulos

Phys Rev B Condens Matter· November 1994

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Erratum: Phase stability of wüstite at high pressure from first-principles linearized augmented plane-wave calculations.
DG Isaak, RE Cohen, MJ Mehl, DJ Singh

Phys Rev B Condens Matter· September 1993

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Phase stability of wüstite at high pressure from first-principles linearized augmented plane-wave calculations.
DG Isaak, RE Cohen, MJ Mehl, DJ Singh

Phys Rev B Condens Matter· April 1993

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Pressure dependence of the elastic moduli in aluminum-rich Al-Li compounds.
MJ Mehl

Phys Rev B Condens Matter· February 1993

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Electronic structure of ErSi2 and YSi2.
L Magaud, JY Veuillen, D Lollman, Nguyen Tan TA, DA Papaconstantopoulos, MJ Mehl

Phys Rev B Condens Matter· July 1992

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New low-energy crystal structure for silicon.
LL Boyer, E Kaxiras, JL Feldman, JQ Broughton, MJ Mehl

Phys Rev Lett· August 1991

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Calculation of energy barriers for physically allowed lattice-invariant strains in aluminum and iridium.
MJ Mehl, LL Boyer

Phys Rev B Condens Matter· April 1991

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First-principles calculation of the elastic moduli of Ni3Al.
JE Osburn, MJ Mehl, BM Klein

Phys Rev B Condens Matter· January 1991

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Total-energy calculations of solid H, Li, Na, K, Rb, and Cs.
M Sigalas, NC Bacalis, DA Papaconstantopoulos, MJ Mehl, AC Switendick

Phys Rev B Condens Matter· December 1990

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Erratum: Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations.
MJ Mehl, JE Osburn, DA Papaconstantopoulos, BM Klein

Phys Rev B Condens Matter· September 1990

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Metallization pressure for NaCl in the B2 structure.
JL Feldman, BM Klein, MJ Mehl, H Krakauer

Phys Rev B Condens Matter· August 1990

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Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations.
MJ Mehl, JE Osburn, DA Papaconstantopoulos, BM Klein

Phys Rev B Condens Matter· May 1990

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Raman spectroscopy and theoretical modeling of BeO at high pressure.
AP Jephcoat, RJ Hemley, HK Mao, RE Cohen, MJ Mehl

Phys Rev B Condens Matter· March 1988

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Ab initio calculations of static lattice properties for NaCl and a test of the Decker equation of state.
JL Feldman, MJ Mehl, LL Boyer, NC Chen

Phys Rev B Condens Matter· March 1988

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