A Buckingham interatomic potential for thallium oxide (): Application to the case of thallium tellurite glasses (Englisch)
- Neue Suche nach: Raghvender, Raghvender
- Weitere Informationen zu Raghvender, Raghvender:
- https://orcid.org/0000-0002-6944-3796
- Neue Suche nach: Bouzid, Assil
- Weitere Informationen zu Bouzid, Assil:
- https://orcid.org/0000-0002-9363-7240
- Neue Suche nach: Hamani, David
- Weitere Informationen zu Hamani, David:
- https://orcid.org/0000-0002-0282-026X
- Neue Suche nach: Thomas, Philippe
- Neue Suche nach: Masson, Olivier
- Weitere Informationen zu Masson, Olivier:
- https://orcid.org/0000-0003-0036-3859
- Neue Suche nach: Raghvender, Raghvender
- Weitere Informationen zu Raghvender, Raghvender:
- https://orcid.org/0000-0002-6944-3796
- Neue Suche nach: Bouzid, Assil
- Weitere Informationen zu Bouzid, Assil:
- https://orcid.org/0000-0002-9363-7240
- Neue Suche nach: Hamani, David
- Weitere Informationen zu Hamani, David:
- https://orcid.org/0000-0002-0282-026X
- Neue Suche nach: Thomas, Philippe
- Neue Suche nach: Masson, Olivier
- Weitere Informationen zu Masson, Olivier:
- https://orcid.org/0000-0003-0036-3859
In:
Computational Materials Science
;
201
;
2021
-
ISSN:
- Aufsatz (Zeitschrift) / Elektronische Ressource
-
Titel:A Buckingham interatomic potential for thallium oxide (): Application to the case of thallium tellurite glasses
-
Beteiligte:Raghvender, Raghvender ( Autor:in ) / Bouzid, Assil ( Autor:in ) / Hamani, David ( Autor:in ) / Thomas, Philippe ( Autor:in ) / Masson, Olivier ( Autor:in )
-
Erschienen in:
-
Verlag:
- Neue Suche nach: Elsevier B.V.
-
Erscheinungsdatum:15.09.2021
-
ISSN:
-
DOI:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Elektronische Ressource
-
Sprache:Englisch
-
Schlagwörter:
-
Datenquelle:
Inhaltsverzeichnis – Band 201
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
-
Leaching model of radionuclides in metal-organic framework particlesLi, Yulan / Hu, Shenyang / Hilty, Floyd W. / Montgomery, Robert / Park, Kyoung Chul / Martin, Corey R. / Shustova, Natalia B. / Liu, Yuan / Phillpot, Simon R. et al. | 2021
-
A Buckingham interatomic potential for thallium oxide (): Application to the case of thallium tellurite glassesRaghvender, Raghvender / Bouzid, Assil / Hamani, David / Thomas, Philippe / Masson, Olivier et al. | 2021
-
Accurate prediction of band gap of materials using stacking machine learning modelWang, Teng / Zhang, Kefei / Thé, Jesse / Yu, Hesheng et al. | 2021
-
A DFT study of GaSe/AlN(ZnO) two-dimensional vdW heterostructure practiced as an encouraging photocatalyst for water splittingLazaar, Koussai / Barhoumi, Mohamed / Said, Moncef et al. | 2021
-
Defect-mediated crystal growth from deeply undercooled meltsYan, Zhenzhen / Xu, Bin / Li, Jinfu / Kong, Lingti et al. | 2021
-
Molecular modeling of methacrylic composite materials doped with nonlinear optical azochromophores with various acceptor fragmentsFominykh, O.D. / Sharipova, A.V. / Balakina, M.Yu. et al. | 2021
-
Ir nanocluster shape effects on melting, surface energy and scaling behavior of self-diffusion coefficient near melting temperatureTaherkhani, Farid / Taherkhani, Fariborz et al. | 2021
-
Shear stress relaxation through the motion of edge dislocations in Cu and Cu–Ni solid solution: A molecular dynamics and discrete dislocation studyBryukhanov, I.A. / Emelyanov, V.A. et al. | 2021
-
Structural stability of titanate pyrochlores undergoing radiation damageDholakia, Manan / Chandra, Sharat et al. | 2021
-
Machine learning and materials informatics approaches in the analysis of physical properties of carbon nanotubes: A reviewVivanco-Benavides, Luis Enrique / Martínez-González, Claudia Lizbeth / Mercado-Zúñiga, Cecilia / Torres-Torres, Carlos et al. | 2021
-
Fracture and strength of single-atom-thick hexagonal materialsLe, Minh-Quy et al. | 2021
-
Corrigendum to “Finite element analysis of tensile testing with emphasis on necking” [Comput. Mater. Sci. 41 (2007) 63–69]Joun, Mansoo / Choi, Insu / Eom, Jaegun / Lee, Mincheol et al. | 2021
-
Roughness evolution of constrained surface based on crystal plasticity finite element model and coupled Eulerian-Lagrangian methodLiu, Chengshang / Xu, Wujiao / Niu, Tianhao / Chen, Yuting et al. | 2021
-
Machine learning predictions of superalloy microstructureTaylor, Patrick L. / Conduit, Gareth et al. | 2021
-
Interactions of oxygen with intrinsic defects in L1 -TiAl in presence of substitutional solutes: Influence on diffusion kineticsThenot, Camille / Besson, Rémy / Sallot, Pierre / Monchoux, Jean-Philippe / Connétable, Damien et al. | 2021
-
High-order one-dimensional (1D) fermion in ferromagnetic RbFeF3Meng, Weizhen / Liu, Ying / Zhang, Xiaoming / Dai, Xuefang / Liu, Guodong et al. | 2021
-
Intrinsic disorder of dangling OH-bonds in the first water layer on noble metal surfacesZhao, Di / Liu, Feng / Duan, Xiangmei / Sun, Deyan et al. | 2021
-
Phase stability and mechanical properties of carbide solid solutions with 2–5 principal metalsVorotilo, Stepan / Sidnov, Kirill / Sedegov, Alexey S. / Abedi, Mohammad / Vorotilo, Kseniia / Moskovskikh, Dmitry O. et al. | 2021
-
Shock-induced spallation in single-crystalline tantalum at elevated temperatures through molecular dynamics modelingWang, Yuntian / Zeng, Xiangguo / Yang, Xin / Xu, Taolong et al. | 2021
-
Superior gas sensing properties of -InSe: A first-principles investigationBolarinwa, Sherifdeen O. / Sattar, Shahid / AlShaikhi, Abdullah A. et al. | 2021
-
A reverse design model for high-performance and low-cost magnesium alloys by machine learningMi, Xiaoxi / Tian, Lianjuan / Tang, Aitao / Kang, Jing / Peng, Peng / She, Jia / Wang, Hailian / Chen, Xianhua / Pan, Fusheng et al. | 2021
-
Unsupervised segmentation of microstructural images of steel using data mining methodsKim, Hoheok / Arisato, Yuuki / Inoue, Junya et al. | 2021
-
On the formation of boundary via - twin–twin interaction in magnesiumZahiri, Amir Hassan / Carneiro, Luiz / Ombogo, Jamie / Chakraborty, Pranay / Cao, Lei et al. | 2021
-
Electronic properties of boron-rich graphene nanowigglesMiranda, Dayvid de Sousa / Vasconcelos, Fabrício Morais de / Meunier, Vincent / Girão, Eduardo Costa et al. | 2021
-
Hydrostatic pressure-tuning of thermoelectric properties of CsSnI3 perovskite by first-principles calculationsWudil, Y.S. / Peng, Q. / Alsayoud, A.Q. / Gondal, M.A. et al. | 2021
-
Editorial Board| 2022
-
Multiscale Concurrent Atomistic-Continuum (CAC) modeling of multicomponent alloysChu, Kevin / Diaz, Adrian / Chen, Youping / Zhu, Ting / McDowell, David L. et al. | 2021
-
Development of a 2NN-MEAM potential for TiB system and studies of the temperature dependence of the nanohardness of TiBAttarian, Siamak / Xiao, Shaoping et al. | 2021
-
Efficiency in identification of internal structure in simulated monoatomic clusters: Comparison between common neighbor analysis and coordination polyhedron methodPolak, Wiesław Z. et al. | 2021
-
Modified embedded-atom method interatomic potentials for Al-Cu, Al-Fe and Al-Ni binary alloys: From room temperature to melting pointMahata, Avik / Mukhopadhyay, Tanmoy / Asle Zaeem, Mohsen et al. | 2021
-
Negative Poisson’s ratio from pentagons: A new auxetic structure combining three different auxetic mechanismsWinczewski, Szymon / Rybicki, Jarosław et al. | 2021
-
Constitutive behavior predictions of mushy zone during solidification by phase field model and coupled Eulerian–Lagrangian methodLi, Longfei / Zhang, Ruijie / Wu, Xianqian / Gu, Zhoupeng / Wang, Changsheng / Jiang, Haitao et al. | 2021
-
Deep learning for mapping element distribution of high-entropy alloys in scanning transmission electron microscopy imagesRagone, Marco / Saray, Mahmoud Tamadoni / Long, Lance / Shahbazian-Yassar, Reza / Mashayek, Farzad / Yurkiv, Vitaliy et al. | 2021
-
Low lattice thermal conductivity and its role in the remarkable thermoelectric performance of newly predicted SiS2 and SiSe2 monolayersBera, Jayanta / Betal, Atanu / Singh, Zimmi / Gandi, Appala Naidu / Sahu, Satyajit et al. | 2021
-
Supervised deep learning prediction of the formation enthalpy of complex phases using a DFT database: The phase as an exampleCrivello, Jean-Claude / Joubert, Jean-Marc / Sokolovska, Nataliya et al. | 2021
-
Full spectrum optical constant interface to the Materials ProjectKas, J.J. / Vila, F.D. / Pemmaraju, C.D. / Prange, M.P. / Persson, K.A. / Yang, R.X. / Rehr, J.J. et al. | 2021
-
Molecular dynamics and DFT study of 38-atom coinage metal clustersSanders-Gutierrez, Oscar Alan / Luna-Valenzuela, Analila / Posada-Borbón, Alvaro / Christian Schön, J. / Posada-Amarillas, Alvaro et al. | 2021
-
The behaviour of Boron Carbide under shock compression conditions: MD simulation resultsÇekil, Hüseyin C. / Özdemir, Metin et al. | 2021
-
A novel approach for studying crack propagation in polycrystalline graphene using machine learning algorithmsElapolu, Mohan S.R. / Shishir, Md. Imrul Reza / Tabarraei, Alireza et al. | 2021
-
Interphase effects on elastic properties of polymer nanocomposites reinforced by carbon nanoconesTaheri, Seyed Saeid / Seyyed Fakhrabadi, Mir Masoud et al. | 2021
-
Reactive molecular dynamics simulations of nickel-based heterometallic catalysts for hydrogen evolution in an alkaline KOH solutionOyinbo, Sunday Temitope / Jen, Tien-Chien et al. | 2021
-
Li-diffusion pathways in and MXenes using the Bond Valence Sum modelPapadopoulou, Konstantina A. / Chroneos, Alexander / Christopoulos, Stavros-Richard G. et al. | 2021
-
Molecular dynamic characteristic temperatures for predicting metallic glass forming abilitySchultz, Lane E. / Afflerbach, Benjamin / Szlufarska, Izabela / Morgan, Dane et al. | 2021
-
Uncertainty bounds for multivariate machine learning predictions on high-strain brittle fractureGarcia-Cardona, Cristina / Fernández-Godino, M. Giselle / O’Malley, Daniel / Bhattacharya, Tanmoy et al. | 2021
-
Simultaneous optimization of thermal and electrical conductivity of high density polyethylene-carbon particle composites by artificial neural networks and multi-objective genetic algorithmGarcía-Carrillo, Miguel / Espinoza-Martínez, Adriana B. / Ramos-de Valle, Luis F. / Sánchez-Valdés, Saúl et al. | 2021