Search Results - "Computational Materials Science" :: K.UTB vyhledávací portál

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Effectively improving the accuracy of PBE functional in calculating the solid band gap via machine learning

by Wan, Zhongyu, Wang, Quan-De, Liu, Dongchang, Liang, Jinhu
Published in Computational materials science (01.10.2021)

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Machine learning elastic constants of multi-component alloys

by Revi, Vivek, Kasodariya, Saurabh, Talapatra, Anjana, Pilania, Ghanshyam, Alankar, Alankar
Published in Computational materials science (01.10.2021)

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A multi-fidelity information-fusion approach to machine learn and predict polymer bandgap

by Patra, Abhirup, Batra, Rohit, Chandrasekaran, Anand, Kim, Chiho, Huan, Tran Doan, Ramprasad, Rampi
Published in Computational materials science (01.02.2020)

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A virtual sample generation algorithm supporting machine learning with a small-sample dataset: A case study for rubber materials

by Shen, Lijun, Qian, Quan
Published in Computational materials science (01.08.2022)

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Wave propagation in fluid-conveying viscoelastic carbon nanotubes based on nonlocal strain gradient theory

by Li, Li, Hu, Yujin
Published in Computational materials science (01.02.2016)

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CALYPSO structure prediction method and its wide application

by Wang, Hui, Wang, Yanchao, Lv, Jian, Li, Quan, Zhang, Lijun, Ma, Yanming
Published in Computational materials science (01.02.2016)

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Accelerating materials science with high-throughput computations and machine learning

by Ong, Shyue Ping
Published in Computational materials science (15.04.2019)

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A physically-based constitutive model for a typical nickel-based superalloy

by Lin, Y.C., Chen, Xiao-Min, Wen, Dong-Xu, Chen, Ming-Song
Published in Computational materials science (01.02.2014)

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Effect of short-range ordering and grain boundary segregation on shear deformation of CoCrFeNi high-entropy alloys with Al addition

by Babicheva, Rita, Jarlöv, Asker, Zheng, Han, Dmitriev, Sergey, Korznikova, Elena, Ling Sharon Nai, Mui, Ramamurty, Upadrasta, Zhou, Kun
Published in Computational materials science (01.12.2022)

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A review on the application of nonlocal elastic models in modeling of carbon nanotubes and graphenes

by Arash, B., Wang, Q.
Published in Computational materials science (01.01.2012)

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Deciphering the atomic genome of glasses by topological constraint theory and molecular dynamics: A review

by Bauchy, Mathieu
Published in Computational materials science (01.03.2019)

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Experimental characterization and analytical modelling of the mechanical behaviour of fused deposition processed parts made of ABS-M30

by Croccolo, Dario, De Agostinis, Massimiliano, Olmi, Giorgio
Published in Computational materials science (01.11.2013)

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Spectral methods for full-field micromechanical modelling of polycrystalline materials

by Lebensohn, Ricardo A., Rollett, Anthony D.
Published in Computational materials science (15.02.2020)

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DFT calculations: A powerful tool for better understanding of electrocatalytic oxygen reduction reactions on Pt-based metallic catalysts

by Fu, Chengrui, Liu, Chang, Li, Tao, Zhang, Xingfan, Wang, Fenglong, Yang, Jingjing, Jiang, Yanyan, Cui, Ping, Li, Hui
Published in Computational materials science (01.12.2019)

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First-principles analysis of the grain boundary segregation of transition metal alloying elements in γFe

by Ito, Kazuma, Sawada, Hideaki
Published in Computational materials science (01.07.2022)

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Mechanical properties of the hexagonal boron nitride monolayer: Ab initio study

by Peng, Qing, Ji, Wei, De, Suvranu
Published in Computational materials science (01.04.2012)

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Transfer learning for materials informatics using crystal graph convolutional neural network

by Lee, Joohwi, Asahi, Ryoji
Published in Computational materials science (01.04.2021)

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Machine-learning-based surrogate modeling of microstructure evolution using phase-field

by Peivaste, Iman, Siboni, Nima H., Alahyarizadeh, Ghasem, Ghaderi, Reza, Svendsen, Bob, Raabe, Dierk, Mianroodi, Jaber Rezaei
Published in Computational materials science (01.11.2022)

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Rapid discovery of narrow bandgap oxide double perovskites using machine learning

by Yang, Xue, Li, Long, Tao, Qiuling, Lu, Wencong, Li, Minjie
Published in Computational materials science (01.08.2021)

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A deep learning based automatic defect analysis framework for In-situ TEM ion irradiations

by Shen, Mingren, Li, Guanzhao, Wu, Dongxia, Yaguchi, Yudai, Haley, Jack C., Field, Kevin G., Morgan, Dane
Published in Computational materials science (01.09.2021)

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