Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems by Hao D., Bu M., Wang Y., Tang Y., Gao Q., Wang M., Hu B., Du Y.

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Rare earth alloying in Cu enhances the C/Cu interfacial wettability for long-lasting copper-based electrical contacts by Bingtian Li, Zhenjie Guan, Yang Li, Ziyao Chen, Weijian Li, Liang Zhen, Wenzhu Shao

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First-principles based data-driven strain engineering for ferroelectrics via active machine learning: A nonlinear piezoelectric constitutive equation by Susumu MINAMI, Yasuaki MARUYAMA, Yoshimasa ABE, Tomohiro NAKAYAMA, Takahiro SHIMADA

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Atomic-scale understanding of the effects of Cr and Ti on γ′ growth kinetics in the Ni–Al-X ternary system: Diffusion couple technique and DFT study by Xinyu Gao, Yuan Tian, Xin Wen, Shichang Qiao, Fengzhen Wang, Na Li, Zhikang Xia, Yongqianag Wang, Shuai Liu, Chao Yuan

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First-Principles-Based Structural and Mechanical Properties of Al₃Ni Under High Pressure by Chuncai Xiao, Baiyuan Yang, Zhangli Lai, Zhiquan Chen, Huaiyang Yang, Hui Wang, Yunzhi Zhou, Xianshi Zeng

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Hf-induced strengthening and lattice distortion in HfxNbTaTiV refractory multi-principal element alloys by Yingwu Wang, Kai Xiong, Wei Li, Chengchen Jin, Haijun Wu, Hua Dai, Zihang Yang, Hongmo Yang, Shunmeng Zhang

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Li+ diffusion in crystalline lithium silicides: influence of intrinsic point defects by Christoph Kirsch, Christian Dreßler, Daniel Sebastiani

Subjects: “…first principles molecular dynamics simulations…”
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Ab Initio Study of the Energetics, Electronic Properties, and Chlorine Migration Behavior of B2-FeAl (110) Surface by Microalloying by Weiqian Chen, Peiqing La, Ruojiao Yin, Lei Wan, Yong Du, Yibing Zheng

Subjects: “…first-principles…”
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Flat-band based high-temperature ferromagnetic semiconducting state in the graphitic C4N3 monolayer by Chaoyu He, Yujie Liao, Tao Ouyang, Huimin Zhang, Hongjun Xiang, Jianxin Zhong

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Phenomenological understanding of the contribution of bulk and grain boundary precipitates on strengthening in prolonged-aged Al-Zn-Mg-Cu aluminium alloys by Cheng-Ling Tai, Yu-Ning Chiu, Chu-Jen Chen, Shih-Kang Lin, Hsin-Chih Lin, R. Devesh Kumar Misra, Yo-Lun Yang, Chien-Nan Hsiao, Cheng-Si Tsao, Tsai-Fu Chung

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