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Dendritic growth dynamics and morphology control in the Amplitude-expanded Phase Field Crystal Model with Gaussian colored nois
Author: Li, Chen; Zhu, Wenjun; Wang, Kun; Ouyang, Xiaoping
Journal: COMPUTATIONAL MATERIALS SCIENCE. 2026; Vol. 264, Issue , pp. -. DOI: 10.1016/j.commatsci.2026.114488
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A framework for automated extraction and validation of experimental arguments in zeolite synthesi
Author: Yu, Ziming; He, Song; Du, Wenli
Journal: COMPUTATIONAL MATERIALS SCIENCE. 2026; Vol. 264, Issue , pp. -. DOI: 10.1016/j.commatsci.2026.114495
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High power factor and low thermal conductivity from strong anisotropy in 1D van der Waals stacked Ta2Pd3Te8 crysta
Author: Chen, Shi; Hong, Aijun; Liu, Junming
Journal: COMPUTATIONAL MATERIALS SCIENCE. 2026; Vol. 264, Issue , pp. -. DOI: 10.1016/j.commatsci.2026.114509
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Physically interpretable models for predicting lattice parameters, tunnel geometry, and symmetry in hollandite-type material
Author: Zhao, Mingyang; Feng, Zhisen; Lei, Bin; Chen, Xiao; Tong, Zhenfeng
Journal: COMPUTATIONAL MATERIALS SCIENCE. 2026; Vol. 264, Issue , pp. -. DOI: 10.1016/j.commatsci.2026.114494
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A general LLM-powered text mining framework: Applied to extract high entropy alloy
Author: Yuan, Haolun; Zeng, Jun; Zuo, Jie; Wang, Xin; Xu, Dingguo
Journal: COMPUTATIONAL MATERIALS SCIENCE. 2026; Vol. 264, Issue , pp. -. DOI: 10.1016/j.commatsci.2025.114476
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First-principles study of synergistic CeHf-VO complex defects on phase stability and ferroelectric polarization in HfO
Author: Huang, Min; Jiang, Yan-Ping; Tong, Zhi-Liang; Tang, Xin-Gui; Tang, Zhen-Hua; Guo, Xiao-Bin; Li, Wen-Hua; Zhou, Yi-Chun
Journal: COMPUTATIONAL MATERIALS SCIENCE. 2026; Vol. 264, Issue , pp. -. DOI: 10.1016/j.commatsci.2026.114487
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First-principles study on high-pressure behavior of terahertz spectrum in TATB crysta
Author: He-ping, Cheng; Shi, Chen; Hui, Peng; Qiao, Liu; Tu-nan, Chen
Journal: COMPUTATIONAL MATERIALS SCIENCE. 2026; Vol. 264, Issue , pp. -. DOI: 10.1016/j.commatsci.2026.114489
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Phase field modeling of crack propagation based on hydrogen pressure theor
Author: Che, Chengjian; Liu, Ran; Wang, Man; Xiong, Si; Gao, Yunfei; Li, Qun
Journal: COMPUTATIONAL MATERIALS SCIENCE. 2026; Vol. 269, Issue , pp. -. DOI: 10.1016/j.commatsci.2026.114682
