Results 201 to 210 of about 35,127 (280)

Lattice thermal conductivity of ZrSe2 based on the anharmonic phonon approach and on-the-fly machine learning force fields

Yong Lu, Fawei Zheng
openalex   +1 more source

Ab-initio heat transport in defect-laden quasi-1D systems from a symmetry-adapted perspective. [PDF]

NPJ Comput Mater
Cen YJ, Wieser S, Madsen GKH, Carrete J.
europepmc   +1 more source

Franck–Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity [PDF]

, 2004
Daniel Kam‐Wah Mok, Edmond P. F. Lee, Foo‐Tim Chau, John M. Dyke   +3 more
openalex   +1 more source

Raman Spectra and Thermal Conductivity of TiAlB, VAlB, CrAlB: An Ab Initio Study. [PDF]

ACS Omega
Wang S, Chen L, Song J.
europepmc   +1 more source

Anharmonicity but absence of surface melting on Al(001)

, 1994
Alfons M. Molenbroek, J.W.M. Frenken
openalex   +2 more sources

Charge coupling to anharmonic lattice excitations in a layered crystal at 800K [PDF]

, 2015
F.M. Russell
openalex   +1 more source

Strain-driven lone pair electron expression for thermal transport in BiCuSeO. [PDF]

Nat Commun
Wan D, Bai S, Fan S, Xiang X, Li Z, Liu Y, Kang P, Zheng L, Zhao LD, Xu H.   +9 more
europepmc   +1 more source

Temperature-invariant crystal-glass heat conduction: From meteorites to refractories. [PDF]

Proc Natl Acad Sci U S A
Simoncelli M, Fournier D, Marangolo M, Balan E, Béneut K, Baptiste B, Doisneau B, Marzari N, Mauri F.   +8 more
europepmc   +1 more source

Density functional theory study of mechanical, thermal, and thermodynamic properties of zinc-blende CdS and CdSe. [PDF]

Sci Rep
Edossa TG.
europepmc   +1 more source

Accurate and efficient machine learning interatomic potentials for finite temperature modelling of molecular crystals. [PDF]

Chem Sci
Della Pia F, Shi BX, Kapil V, Zen A, Alfè D, Michaelides A.   +5 more
europepmc   +1 more source