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Modelling of electron and hole trapping in oxides
Shluger, A L, McKenna, K P, Sushko, P V, Ramo, D Muñoz, Kimmel, A V
Published in Modelling and simulation in materials science and engineering (01.12.2009)
Published in Modelling and simulation in materials science and engineering (01.12.2009)
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An ab initio-based Er-He interatomic potential in hcp Er
Yang, L, Ye, Y T, Fan, K M, Shen, H H, Peng, S M, Long, X G, Zhou, X S, Zu, X T, Gao, F
Published in Modelling and simulation in materials science and engineering (01.09.2014)
Published in Modelling and simulation in materials science and engineering (01.09.2014)
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Dynamic response and residual stress fields of Ti6Al4V alloy under shock wave induced by laser shock peening
Sun, Rujian, Li, Liuhe, Zhu, Ying, Zhang, Lixin, Guo, Wei, Peng, Peng, Li, Bo, Guo, Chao, Liu, Lei, Che, Zhigang, Li, Weidong, Sun, Jianfei, Qiao, Hongchao
Published in Modelling and simulation in materials science and engineering (01.09.2017)
Published in Modelling and simulation in materials science and engineering (01.09.2017)
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An embedded-atom potential for the Cu–Ag system
Williams, P L, Mishin, Y, Hamilton, J C
Published in Modelling and simulation in materials science and engineering (01.07.2006)
Published in Modelling and simulation in materials science and engineering (01.07.2006)
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Robust structural identification via polyhedral template matching
Larsen, Peter Mahler, Schmidt, Søren, Schiøtz, Jakob
Published in Modelling and simulation in materials science and engineering (01.06.2016)
Published in Modelling and simulation in materials science and engineering (01.06.2016)
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Roadmap on multiscale materials modeling
van der Giessen, Erik, Schultz, Peter A, Bertin, Nicolas, Bulatov, Vasily V, Cai, Wei, Csányi, Gábor, Foiles, Stephen M, Geers, M G D, González, Carlos, Hütter, Markus, Kim, Woo Kyun, Kochmann, Dennis M, LLorca, Javier, Mattsson, Ann E, Rottler, Jörg, Shluger, Alexander, Sills, Ryan B, Steinbach, Ingo, Strachan, Alejandro, Tadmor, Ellad B
Published in Modelling and simulation in materials science and engineering (01.06.2020)
Published in Modelling and simulation in materials science and engineering (01.06.2020)
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Roadmap on electronic structure codes in the exascale era
Gavini, Vikram, Baroni, Stefano, Blum, Volker, Bowler, David R, Buccheri, Alexander, Chelikowsky, James R, Das, Sambit, Dawson, William, Delugas, Pietro, Dogan, Mehmet, Draxl, Claudia, Galli, Giulia, Genovese, Luigi, Giannozzi, Paolo, Giantomassi, Matteo, Gonze, Xavier, Govoni, Marco, Gygi, François, Gulans, Andris, Herbert, John M, Kokott, Sebastian, Kühne, Thomas D, Liou, Kai-Hsin, Miyazaki, Tsuyoshi, Motamarri, Phani, Nakata, Ayako, Pask, John E, Plessl, Christian, Ratcliff, Laura E, Richard, Ryan M, Rossi, Mariana, Schade, Robert, Scheffler, Matthias, Schütt, Ole, Suryanarayana, Phanish, Torrent, Marc, Truflandier, Lionel, Windus, Theresa L, Xu, Qimen, Yu, Victor W-Z, Perez, D
Published in Modelling and simulation in materials science and engineering (01.09.2023)
Published in Modelling and simulation in materials science and engineering (01.09.2023)
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Structure identification methods for atomistic simulations of crystalline materials
Stukowski, Alexander
Published in Modelling and simulation in materials science and engineering (01.06.2012)
Published in Modelling and simulation in materials science and engineering (01.06.2012)
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On the elastic-plastic decomposition of crystal deformation at the atomic scale
Stukowski, A, Arsenlis, A
Published in Modelling and simulation in materials science and engineering (01.04.2012)
Published in Modelling and simulation in materials science and engineering (01.04.2012)
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FFT based approaches in micromechanics: fundamentals, methods and applications
Lucarini, S, Upadhyay, M V, Segurado, J
Published in Modelling and simulation in materials science and engineering (01.03.2022)
Published in Modelling and simulation in materials science and engineering (01.03.2022)
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A model for understanding the formation energies of nanolamellar phases in transition metal carbides and nitrides
Yu, Hang, Guziewski, Matthew, Thompson, Gregory B, Weinberger, Christopher R
Published in Modelling and simulation in materials science and engineering (01.06.2016)
Published in Modelling and simulation in materials science and engineering (01.06.2016)
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Study on the atomic removal behavior and damage formation mechanism of nano cutting copper–nickel alloy with diamond tool
He, Yan, Gao, Zikai, Tang, Meiling, Gao, Xingjun, Fan, Lin, Sun, Jingting
Published in Modelling and simulation in materials science and engineering (01.04.2024)
Published in Modelling and simulation in materials science and engineering (01.04.2024)
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ATK-ForceField: a new generation molecular dynamics software package
Schneider, Julian, Hamaekers, Jan, Chill, Samuel T, Smidstrup, Søren, Bulin, Johannes, Thesen, Ralph, Blom, Anders, Stokbro, Kurt
Published in Modelling and simulation in materials science and engineering (30.10.2017)
Published in Modelling and simulation in materials science and engineering (30.10.2017)
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