“仙桃”虚拟专刊 | 涉及材料计算的论文

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Feltrin AC, Hedman D, Akhtar F. Thermal properties and high-temperature ablation of high-entropy (Ti_0.25V_0.25Zr_0.25Hf_0.25)B₂ coating on graphite substrate. Journal of Advanced Ceramics, 2024, 13 (8): 1268-1281.
JAC摘要 | 2024-08-1268-1281

Zhang Y, Yu H, Jia Y, et al. Surface vitrification of carbon by laser treatment: Insights of glass formation from molecular dynamics. Journal of Advanced Ceramics, 2024, 13 (6): 729-735.
JAC摘要 | 2024-06-0729-0735

Dai H, Du H, Boulfrad S, et al. Manipulating Nb-doped SrFeO_3−δ with excellent performance for proton-conducting solid oxide fuel cells. Journal of Advanced Ceramics, 2024, 13 (5): 579-589.
JAC摘要 | 2024-05-0579-0589

Gan M, Lu T, Yu W, et al. Capturing and visualizing the phase transition mediated thermal stress of thermal barrier coating materials via a cross-scale integrated computational approach. Journal of Advanced Ceramics, 2024, 13 (4): 413-428.
JAC摘要 | 2024-04-0413-0428

Liu M, Li Q, Hui J, et al. Repelling effects of Mg on diffusion of He atoms towards surface in SiC: Irradiation and annealing experiments combined with first-principles calculations. Journal of Advanced Ceramics, 2023, 12 (12): 2284-2299.
JAC摘要 | 2023-12-2284-2299

Hassan M, Liu S, Liang Z, et al. Revisiting traditional and modern trends in versatile 2D nanomaterials: Synthetic strategies, structural stability, and gas-sensing fundamentals. Journal of Advanced Ceramics, 2023, 12 (12): 2149-2246.
JAC摘要 | 2023-12-2149-2246

He J, Wang C, Li J, et al. Machine learning assisted prediction of dielectric temperature spectrum of ferroelectrics. Journal of Advanced Ceramics, 2023, 12 (9): 1793-1804.
JAC摘要 | 2023-09-1793-1804

Ma C, He L, Bi L, et al. Enhanced conductivity and stability of Co_0.98Cu_xMn_2.02−xO₄ ceramics with dual phases and twin structures. Journal of Advanced Ceramics, 2023, 12 (9): 1742-1757.
JAC摘要 | 2023-09-1742-1757

Zheng Z, Liu K, Zhou Y, et al. Ultrasensitive room-temperature geranyl acetone detection based on Fe@WO_3−x nanoparticles in cooked rice flavor analysis. Journal of Advanced Ceramics, 2023, 12 (8): 1547-1561.
JAC摘要 | 2023-08-1547-1561

Gu W, Yang B, Li D, et al. Accelerated design of lead-free high-performance piezoelectric ceramics with high accuracy via machine learning. Journal of Advanced Ceramics, 2023, 12 (7): 1389-1405.
JAC摘要 | 2023-07-1389-1405

Yang Z, Li Y, Pan W, et al. Abnormal thermal expansion coefficients in (Nd_1−xDy_x)₂Zr₂O₇ pyrochlore: The effect of low-lying optical phonons. Journal of Advanced Ceramics, 2023, 12 (5): 1001-1014.
JAC摘要 | 2023-05-1001-1014

Liu Y, Zhou Y, Jia D, et al. Composition-dependent structural characteristics and mechanical properties of amorphous SiBCN ceramics by ab-initio calculations. Journal of Advanced Ceramics, 2023, 12 (5): 984-1000.
JAC摘要 | 2023-05-0984-1000

Wang Y, Wen B, Jiao X, et al. The highest melting point material: Searched by Bayesian global optimization with deep potential molecular dynamics. Journal of Advanced Ceramics, 2023, 12 (4): 803-814.
JAC摘要 | 2023-04-0803-0814

以下是《现代技术陶瓷》近年来发表的涉及材料计算的论文：

唐斌, 孙诗奇, 卢林远等. 增材制造碳化硅核燃料包壳元件及其芯块热传导行为模拟研究. 现代技术陶瓷, 2024, 45 (4): 325-338.
《现代技术陶瓷》摘要 | 2024-04-325-338

张跃. 关于人工智能时代材料研究实验设计的思考. 现代技术陶瓷, 2024, 45(1): 1-11.
《现代技术陶瓷》摘要 | 2024-01-001-011

刘尚, 刘士余, 张硕鑫, 等. 氮掺杂ZrC和TaC结构和电子性质的第一性原理研究. 现代技术陶瓷, 2021, 42: 248-255.
《现代技术陶瓷》摘要 | 2021-04-248-255

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