First-principles investigation on the brittleness mechanism of TiAl alloys and the effect of doping by Zewen Zhang, Qinghua Song, Yapeng Li, Kunyu Li, Jing Qin, Zhanqiang Liu

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Tuning Electronic Structure and Optical Properties of Monolayered h-BN by Doping C, Cu and Al by Qun Li, Tengchao Gao, Kuo Zhang, Xiangming Che, Guolong Ni

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Thermodynamic modeling of the Bi-M (M = Ti, Cr, V) systems by Cao Z., Xin J., Chen C., Liu S., Hu B., Tang C., Du Y.

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Effect of alloying elements on stacking fault energy and softening/hardening of zirconium by L.C. Liu, J.T. Zheng, Z.P. Wu, Z.Y. Xu, S.F. Zhou

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The Effect of Gradient Cooling Behavior on the Microstructure and Mechanical Properties of Al-2at.% Nd Alloy in a Vacuum Environment by Xiangjie Wang, Xinyu Zhang, Wenjie Wu, Shuchen Sun

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Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling by Alexander Landa, Per Söderlind, John Roehling, Joseph T. McKeown

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Giant phonon anomaly in topological nodal-line semimetals by Zizhen Zhou, Xiaolong Yang, Honghui Wang, Guang Han, Xu Lu, Guoyu Wang, Rui Wang, Xiaoyuan Zhou

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İLK İLKELERİN KAYNAĞI NEDİR? İKİNCİ ANALİTİKLER 2. 19 ÇEVİRİSİNDE BİR İNCELEME by Hakan, Hasan Çoşar, Akkanat

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Can One Predict Coronal Mass Ejection Arrival Times With Thirty‐Minute Accuracy? by Gábor Tóth, Bart van derHolst, Ward Manchester IV

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Accelerated TLPD bonding of reliable IMCs micro joints using Cu–8Ni substrate under thermal gradient: Experiments and theoretical calculations by Yanqing Lai, Mingjie Wang, Donghui Zheng, Meiping Liu, Bao Chen, Jinmei Lv, Ning Zhao

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A comprehensive study on the electronic, optical, and light harvesting examination of mixed cation 2-Br-PEAI/FAPbI3 perovskite solar cells through first principles calculations and... by Mohammed Benali Kanoun, Adil Alshoaibi, Mousaab Belarbi, Souraya Goumri-Said

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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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