Works matching DE "INTERATOMIC angles"

Results: 19

Machine learned interatomic potentials using random features.

Published in:

NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-021-00685-4

By:

Dhaliwal, Gurjot;
Nair, Prasanth B.;
Singh, Chandra Veer

Publication type:

Article

Atomistic Line Graph Neural Network for improved materials property predictions.

Published in:

NPJ Computational Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41524-021-00650-1

By:

Choudhary, Kamal;
DeCost, Brian

Publication type:

Article

Three-Dimensional Architectures Incorporating Stereoregular Donor-Acceptor Stacks.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 26, p. 8457, doi. 10.1002/chem.201300762

By:

Cao, Dennis;
Juríček, Michal;
Brown, Zachary J.;
Sue, Andrew C.‐H.;
Liu, Zhichang;
Lei, Juying;
Blackburn, Anthea K.;
Grunder, Sergio;
Sarjeant, Amy A.;
Coskun, Ali;
Wang, Cheng;
Farha, Omar K.;
Hupp, Joseph T.;
Stoddart, J. Fraser

Publication type:

Article

Stress Concentration Factor of Single-Layered Graphene Sheets Containing Elliptical Vacancies.

Published in:

Journal of Solid Mechanics, 2019, v. 11, n. 3, p. 670, doi. 10.22034/JSM.2019.667250

By:

Jalali, S. K.;
Beigrezaee, M. J.

Publication type:

Article

Amplification of matter rogue waves and breathers in quasi-two-dimensional Bose-Einstein condensates.

Published in:

European Physical Journal B: Condensed Matter, 2016, v. 89, n. 2, p. 1, doi. 10.1140/epjb/e2015-60936-0

By:

Manikandan, K.;
Senthilvelan, M.;
Kraenkel, R. A.

Publication type:

Article

Euler elastica as a Γ-limit of discrete bending energies of one-dimensional chains of atoms.

Published in:

Mathematics & Mechanics of Solids, 2018, v. 23, n. 7, p. 1104, doi. 10.1177/1081286517707997

By:

Español, Malena I.;
Golovaty, Dmitry;
Wilber, J. Patrick

Publication type:

Article

Molecular Dynamics Modeling of the Sliding Performance of an Amorphous Silica Nano-Layer—The Impact of Chosen Interatomic Potentials.

Published in:

Lubricants (2075-4442), 2018, v. 6, n. 2, p. 43, doi. 10.3390/lubricants6020043

By:

Dmitriev, Andrey I.;
Nikonov, Anton Y.;
Österle, Werner

Publication type:

Article

Atomistic Simulations of Pure Tin Based on a New Modified Embedded-Atom Method Interatomic Potential.

Published in:

Metals (2075-4701), 2018, v. 8, n. 11, p. 900, doi. 10.3390/met8110900

By:

Ko, Won-Seok;
Kim, Dong-Hyun;
Kwon, Yong-Jai;
Lee, Min Hyung

Publication type:

Article

Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat)2CuCl4.

Published in:

Journal of Synchrotron Radiation, 2016, v. 23, n. 6, p. 1433, doi. 10.1107/S1600577516014570

By:

Šipr, Ondřej;
Vackář, Jiří;
Kuzmin, Alexei

Publication type:

Article

κ-Phase Formation in Fe-Mn-Al-C Austenitic Steels.

Published in:

Steel Research International, 2015, v. 86, n. 10, p. 1161, doi. 10.1002/srin.201400587

By:

Song, Wenwen;
Zhang, Wei;
von Appen, Jörg;
Dronskowski, Richard;
Bleck, Wolfgang

Publication type:

Article

High-order expanded XAFS Debye-Waller factors of HCP crystals based on classical anharmonic correlated Einstein model.

Published in:

Modern Physics Letters B, 2014, v. 28, n. 21, p. -1, doi. 10.1142/S0217984914501747

By:

Hung, Nguyen Van;
Tien, Tong Sy;
Duc, Ngyen Ba;
Vuong, Dinh Quoc

Publication type:

Article

Analysis of the crystal lattice instability for cage-cluster systems using the superatom model.

Published in:

Journal of Experimental & Theoretical Physics, 2016, v. 123, n. 3, p. 452, doi. 10.1134/S1063776116070220

By:

Serebrennikov, D.;
Clementyev, E.;
Alekseev, P.

Publication type:

Article

Shear-induced chemical segregation in a Fe-based bulk metallic glass at room temperature.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-92907-4

By:

Louzguine-Luzgin, D. V.;
Trifonov, A. S.;
Ivanov, Yu. P.;
Lu, A. K. A.;
Lubenchenko, A. V.;
Greer, A. L.

Publication type:

Article

Theoretical prediction of the structural, elastic, mechanical and phonon properties of bismuth telluride under pressure.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, v. 29, n. 31, p. -1, doi. 10.1142/S0217979215502227

By:

Güler, E.;
Güler, M.

Publication type:

Article

Impact growth structures of nanoalloys: Atomistic simulation on an immiscible Cu-Ag system.

Published in:

Physica Status Solidi (B), 2015, v. 252, n. 2, p. 365, doi. 10.1002/pssb.201451284

By:

Tang, Jianfeng;
Yang, Jianyu;
Yu, Yi

Publication type:

Article

Large scale supercell calculations for forces around substitutional defects in NiTi.

Published in:

Physica Status Solidi (B), 2014, v. 251, n. 10, p. 2048, doi. 10.1002/pssb.201350406

By:

Zeller, Rudolf

Publication type:

Article

Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe2As2 under pressure.

Published in:

Scientific Reports, 2015, p. 9868, doi. 10.1038/srep09868

By:

Stavrou, Elissaios;
Chen, Xiao-Jia;
Oganov, Artem R.;
Wang, A. F.;
Yan, Y. J.;
Luo, X. G.;
Chen, X. H.;
Goncharov, Alexander F.

Publication type:

Article

First-principles study of point defects at a semicoherent interface.

Published in:

Scientific Reports, 2014, p. 1, doi. 10.1038/srep07567

By:

Metsanurk, E.;
Tamm, A.;
Caro, A.;
Aabloo, A.;
Klintenberg, M.

Publication type:

Article

Structural transitions in mixed ternary noble gas clusters.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 8, p. 3119, doi. 10.1007/s00894-013-1847-3

By:

Wu, Xia;
Sun, Yan;
Gao, Yin-Chun;
Wu, Gen-Hua

Publication type:

Article

Works matching DE "INTERATOMIC angles"

Machine learned interatomic potentials using random features.

Atomistic Line Graph Neural Network for improved materials property predictions.

Three-Dimensional Architectures Incorporating Stereoregular Donor-Acceptor Stacks.

Stress Concentration Factor of Single-Layered Graphene Sheets Containing Elliptical Vacancies.

Amplification of matter rogue waves and breathers in quasi-two-dimensional Bose-Einstein condensates.

Euler elastica as a Γ-limit of discrete bending energies of one-dimensional chains of atoms.

Molecular Dynamics Modeling of the Sliding Performance of an Amorphous Silica Nano-Layer—The Impact of Chosen Interatomic Potentials.

Atomistic Simulations of Pure Tin Based on a New Modified Embedded-Atom Method Interatomic Potential.

Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat)<sub>2</sub>CuCl<sub>4</sub>.

κ-Phase Formation in Fe-Mn-Al-C Austenitic Steels.

High-order expanded XAFS Debye-Waller factors of HCP crystals based on classical anharmonic correlated Einstein model.

Analysis of the crystal lattice instability for cage-cluster systems using the superatom model.

Shear-induced chemical segregation in a Fe-based bulk metallic glass at room temperature.

Theoretical prediction of the structural, elastic, mechanical and phonon properties of bismuth telluride under pressure.

Impact growth structures of nanoalloys: Atomistic simulation on an immiscible Cu-Ag system.

Large scale supercell calculations for forces around substitutional defects in NiTi.

Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe<sub>2</sub>As<sub>2</sub> under pressure.

First-principles study of point defects at a semicoherent interface.

Structural transitions in mixed ternary noble gas clusters.