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(n.d.) Computational Materials Science Vol. 93. Elsevier BV

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Reference TypeJournal (volume)
JournalComputational Materials Science
PublisherElsevier BV
Mindat Ref. ID9508564Long-form Identifiermindat:1:5:9508564:9
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Full Reference(n.d.) Computational Materials Science Vol. 93. Elsevier BV
Plain Text(n.d.) Computational Materials Science Vol. 93. Elsevier BV
InElsevier BV - Computational Materials Science

Contains

(2014) IFC. Computational Materials Science, 93. doi:10.1016/s0927-0256(14)00520-5
Xi, Xinguo, Dong, Pengyu, Pei, Huanhuan, Hou, Guihua, Zhang, Qinfang, Guan, Rongfeng, Xu, Ning, Wang, Yuhua (2014) Density functional study of X monodoped and codoped (X = C, N, S, F) anatase TiO 2. Computational Materials Science, 93. 1-5 doi:10.1016/j.commatsci.2014.06.035
Deng, Lei, Chen, Dong, Zhu, Yinlian, Ma, Xiuliang (2014) Effect of vacancies (O, Ti) on the interfacial bonding strength and magnetoelectricity in Fe/BaTiO 3 : A first-principles study. Computational Materials Science, 93. 6-10 doi:10.1016/j.commatsci.2014.06.038
Li, B., Wong, C.H. (2014) Molecular dynamics study of ultrathin lubricant films with functional end groups: Thermal-induced desorption and decomposition. Computational Materials Science, 93. 11-14 doi:10.1016/j.commatsci.2014.06.023
Zhang, Chao, Mao, Fei, Dai, Jinxia, Zhang, Feng-Shou (2014) Irradiation effects in single-walled carbon nanotubes: Density-functional theory based treatments. Computational Materials Science, 93. 15-21 doi:10.1016/j.commatsci.2014.06.015
Benosman, F., Benosman, N., MÊçabih, S., Ruterana, P., Abbar, B., Bouhafs, B. (2014) Positron energy levels in zinc chalcogenides ZnS, ZnSe, and ZnTe. Computational Materials Science, 93. 22-28 doi:10.1016/j.commatsci.2014.06.018
Madke, Rohit Raju, Chakraborty, Souvik, Chowdhury, Rajib (2014) Multiscale approach for the nonlinear behavior of cementitious composite. Computational Materials Science, 93. 29-35 doi:10.1016/j.commatsci.2014.06.026
Deng, Jie, Morgan, Dane, Szlufarska, Izabela (2014) Kinetic Monte Carlo simulation of the effective diffusivity in grain boundary networks. Computational Materials Science, 93. 36-45 doi:10.1016/j.commatsci.2014.06.028
Lang, P., Wojcik, T., Povoden-Karadeniz, E., Cirstea, C.D., Kozeschnik, E. (2014) Crystal structure and free energy of Ti 2 Ni 3 precipitates in Ti–Ni alloys from first principles. Computational Materials Science, 93. 46-49 doi:10.1016/j.commatsci.2014.06.019
Zhao, Man, Miao, Yaping, Huang, Yuhong, Xu, Kewei, Ma, Fei (2014) The effect of H adsorption on the electronic and magnetic states in the hybrid structure of graphene and BN. Computational Materials Science, 93. 50-55 doi:10.1016/j.commatsci.2014.06.021
Tanimoto, T., Moniruzzaman, Md., Murata, Y., Miura, N., Kondo, Y., Tsukada, Y., Koyama, T. (2014) Origin of the morphological change from rafted structure to irregular shape of the γ ′ phase in single crystal nickel-based superalloys. Computational Materials Science, 93. 56-61 doi:10.1016/j.commatsci.2014.05.055
Ikushima, Kazuki, Shibahara, Masakazu (2014) Prediction of residual stresses in multi-pass welded joint using Idealized Explicit FEM accelerated by a GPU. Computational Materials Science, 93. 62-67 doi:10.1016/j.commatsci.2014.06.024
Li, Yinfeng, Datta, Dibakar, Li, Shihong, Li, Zhonghua, Shenoy, Vivek B. (2014) Patterned arrangement regulated mechanical properties of hydrogenated graphene. Computational Materials Science, 93. 68-73 doi:10.1016/j.commatsci.2014.06.032
Wang, Bo, Xiao, Shifang, Gan, Xianglai, Deng, Huiqiu, Li, Xiaofan, Sun, Xuegui, Hu, Wangyu (2014) Diffusion properties of liquid lithium–lead alloys from atomistic simulation. Computational Materials Science, 93. 74-80 doi:10.1016/j.commatsci.2014.06.020
Wang, Nan, Wen, Youhai, Chen, Long-Qing (2014) Pinning force from multiple second-phase particles in grain growth. Computational Materials Science, 93. 81-85 doi:10.1016/j.commatsci.2014.06.030
Xu, B., Wang, L., Chen, H.J., Zhao, J., Liu, G., Wu, M.S. (2014) Adsorption and diffusion of lithium on 1T-MoS 2 monolayer. Computational Materials Science, 93. 86-90 doi:10.1016/j.commatsci.2014.06.033
Zaari, H., Boujnah, M., El hachimi, A.G., Benyoussef, A., El Kenz, A. (2014) Electronic structure and X-ray magnetic circular dichroic of Neodymium doped ZnTe using the GGA + U approximation. Computational Materials Science, 93. 91-96 doi:10.1016/j.commatsci.2014.06.009
Ma, Jianbo, Dai, Yongbing, Zhou, Wei, Zhang, Jiao, Wang, Jun, Sun, Baode (2014) Short range orders in molten Al: An ab initio molecular dynamics study. Computational Materials Science, 93. 97-103 doi:10.1016/j.commatsci.2014.06.012
Pan, Zhiliang, Kecskes, Laszlo J., Wei, Qiuming (2014) The nature behind the preferentially embrittling effect of impurities on the ductility of tungsten. Computational Materials Science, 93. 104-111 doi:10.1016/j.commatsci.2014.06.036
Ramunni, Viviana P. (2014) Diffusion behavior in Nickel–Aluminum and Aluminum–Uranium diluted alloys. Computational Materials Science, 93. 112-124 doi:10.1016/j.commatsci.2014.06.039
Rahnamaye Aliabad, H.A., Parvizi, Z. (2014) Structural, electronical and thermal properties of XVO 4 ( X = Y , Gd) vanadate crystals. Computational Materials Science, 93. 125-132 doi:10.1016/j.commatsci.2014.06.025
Tipton, William W., Matulis, Catherine A., Hennig, Richard G. (2014) Ab initio prediction of the Li 5 Ge 2 Zintl compound. Computational Materials Science, 93. 133-136 doi:10.1016/j.commatsci.2014.06.014
Sun, Hao, Deng, Chuang (2014) Direct quantification of solute effects on grain boundary motion by atomistic simulations. Computational Materials Science, 93. 137-143 doi:10.1016/j.commatsci.2014.06.040
Yuan, Xiaokun, Wei, Chongbin, Zhang, Dongtao, Zhu, Jie, Gao, Xuexu (2014) Characterization and comparison of grain boundary character distributions in cemented carbides with different binder phases. Computational Materials Science, 93. 144-150 doi:10.1016/j.commatsci.2014.06.022
Noor, N.A., Ali, S., Murtaza, G., Sajjad, M., Alay-e-Abbas, S.M., Shaukat, A., Alahmed, Z.A., Reshak, A.H. (2014) Theoretical investigation of band gap and optical properties of ZnO 1− x Te x alloys ( x = 0, 0.25, 0.5, 0.75 and 1). Computational Materials Science, 93. 151-159 doi:10.1016/j.commatsci.2014.06.017
Ramirez-de-Arellano, J.M., Ruiz-Chavarría, Sabina, Valencia-Sánchez, Hoover, Tavizon, Gustavo, de la Mora, Pablo (2014) Evaluation of the band-gap of Ruddlesden–Popper tantalates. Computational Materials Science, 93. 160-163 doi:10.1016/j.commatsci.2014.06.043
Kang, Jeong Won, Lee, Kang Whan (2014) Molecular dynamics study of carbon-nanotube shuttle-memory on graphene nanoribbon array. Computational Materials Science, 93. 164-168 doi:10.1016/j.commatsci.2014.06.041
Rest, J., Insepov, Z., Ye, B., Yun, D. (2014) A multiscale method for the analysis of defect behavior in Mo during electron irradiation. Computational Materials Science, 93. 169-177 doi:10.1016/j.commatsci.2014.06.044
Taylor, Richard H., Rose, Frisco, Toher, Cormac, Levy, Ohad, Yang, Kesong, Buongiorno Nardelli, Marco, Curtarolo, Stefano (2014) A RESTful API for exchanging materials data in the AFLOWLIB.org consortium. Computational Materials Science, 93. 178-192 doi:10.1016/j.commatsci.2014.05.014
Yin, M.Y., Wang, X.C., Mi, W.B., Ding, Y.H., Chen, G.F., Yang, B.H. (2014) Magnetism and electronic structure in Zn and Ti doped CoO: A first-principles study. Computational Materials Science, 93. 193-200 doi:10.1016/j.commatsci.2014.06.016
Parlak, Cihan (2014) Electronic band structure and volume-dependent lattice dynamical properties of superconductor Sr (AlGe). Computational Materials Science, 93. 201-205 doi:10.1016/j.commatsci.2014.07.009
Pan, Zhiliang, Rupert, Timothy J. (2014) Damage nucleation from repeated dislocation absorption at a grain boundary. Computational Materials Science, 93. 206-209 doi:10.1016/j.commatsci.2014.07.008
Li, C.M., Zeng, S.M., Chen, Z.Q., Cheng, N.P., Chen, T.X. (2014) First-principles calculations of elastic and thermodynamic properties of the four main intermetallic phases in Al–Zn–Mg–Cu alloys. Computational Materials Science, 93. 210-220 doi:10.1016/j.commatsci.2014.06.031
Gräser, Carsten, Kornhuber, Ralf, Sack, Uli (2014) Numerical simulation of coarsening in binary solder alloys. Computational Materials Science, 93. 221-233 doi:10.1016/j.commatsci.2014.06.010
Li, Tongwei, Ju, Weiwei, Liu, Huihui, Cui, Hongling, Zhao, Xiaoyan, Yong, Yongliang, Feng, Zhenjie (2014) First-principles investigation of the electronic and lattice vibrational properties of Mg 2 C. Computational Materials Science, 93. 234-238 doi:10.1016/j.commatsci.2014.06.048
Riedlbauer, D., Drexler, M., Drummer, D., Steinmann, P., Mergheim, J. (2014) Modelling, simulation and experimental validation of heat transfer in selective laser melting of the polymeric material PA12. Computational Materials Science, 93. 239-248 doi:10.1016/j.commatsci.2014.06.046
Tian, Hao, Liu, Zheng-Tang, Liu, Qi-Jun, Zhang, Ning-Chao, Liu, Fu-Sheng (2014) Structural, mechanical, electronic and optical properties of layered ternary nitrides SrZrN 2 and SrHfN 2 : First-principles calculations. Computational Materials Science, 93. 249-254 doi:10.1016/j.commatsci.2014.06.045
Glüge, R., Weber, M., Bertram, A. (2014) Corrigendum to “Comparison of spherical and cubical statistical volume elements with respect to convergence, anisotropy and localization behavior” [Comput. Mater. Sci. 63 (2012) 91–104]. Computational Materials Science, 93. 255pp. doi:10.1016/j.commatsci.2014.06.029

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