Dissimilar thermal transport properties in κ-Ga2O3 and β-Ga2O3 revealed by homogeneous nonequilibrium molecular dynamics simulations using machine-learned potentials
Wang, Xiaonan, Yang, Jinfeng, Ying, Penghua, Fan, Zheyong, Zhang, Jin, Sun, Huarui
Published in Journal of applied physics (14.02.2024)
Published in Journal of applied physics (14.02.2024)
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Accurate prediction of heat conductivity of water by a neuroevolution potential
Xu, Ke, Hao, Yongchao, Liang, Ting, Ying, Penghua, Xu, Jianbin, Wu, Jianyang, Fan, Zheyong
Published in The Journal of chemical physics (28.05.2023)
Published in The Journal of chemical physics (28.05.2023)
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Correcting force error-induced underestimation of lattice thermal conductivity in machine learning molecular dynamics
Wu, Xiguang, Zhou, Wenjiang, Dong, Haikuan, Ying, Penghua, Wang, Yanzhou, Song, Bai, Fan, Zheyong, Xiong, Shiyun
Published in The Journal of chemical physics (07.07.2024)
Published in The Journal of chemical physics (07.07.2024)
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Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials
Dong, Haikuan, Shi, Yongbo, Ying, Penghua, Xu, Ke, Liang, Ting, Wang, Yanzhou, Zeng, Zezhu, Wu, Xin, Zhou, Wenjiang, Xiong, Shiyun, Chen, Shunda, Fan, Zheyong
Published in Journal of applied physics (28.04.2024)
Published in Journal of applied physics (28.04.2024)
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Pushing thermal conductivity to its lower limit in crystals with simple structures
Zeng, Zezhu, Shen, Xingchen, Cheng, Ruihuan, Perez, Olivier, Ouyang, Niuchang, Fan, Zheyong, Lemoine, Pierric, Raveau, Bernard, Guilmeau, Emmanuel, Chen, Yue
Published in Nature communications (08.04.2024)
Published in Nature communications (08.04.2024)
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Anomalous thermal conductivity enhancement in low dimensional resonant nanostructures due to imperfections
Wang, Hongying, Cheng, Yajuan, Fan, Zheyong, Guo, Yangyu, Zhang, Zhongwei, Bescond, Marc, Nomura, Massahiro, Ala-Nissila, Tapio, Volz, Sebastian, Xiong, Shiyun
Published in Nanoscale (14.06.2021)
Published in Nanoscale (14.06.2021)
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Journal Article
Kapitza thermal resistance across individual grain boundaries in graphene
Azizi, Khatereh, Hirvonen, Petri, Fan, Zheyong, Harju, Ari, Elder, Ken R., Ala-Nissila, Tapio, Allaei, S. Mehdi Vaez
Published in Carbon (New York) (01.12.2017)
Published in Carbon (New York) (01.12.2017)
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Energetics and structure of grain boundary triple junctions in graphene
Hirvonen, Petri, Fan, Zheyong, Ervasti, Mikko M., Harju, Ari, Elder, Ken R., Ala-Nissila, Tapio
Published in Scientific reports (06.07.2017)
Published in Scientific reports (06.07.2017)
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Efficient molecular dynamics simulations with many-body potentials on graphics processing units
Fan, Zheyong, Chen, Wei, Vierimaa, Ville, Harju, Ari
Published in Computer physics communications (01.09.2017)
Published in Computer physics communications (01.09.2017)
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Structure and Pore Size Distribution in Nanoporous Carbon
Wang, Yanzhou, Fan, Zheyong, Qian, Ping, Ala-Nissila, Tapio, Caro, Miguel A
Published in Chemistry of materials (25.01.2022)
Published in Chemistry of materials (25.01.2022)
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Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene
Dong, Haikuan, Cao, Chenyang, Ying, Penghua, Fan, Zheyong, Qian, Ping, Su, Yanjing
Published in International journal of heat and mass transfer (01.06.2023)
Published in International journal of heat and mass transfer (01.06.2023)
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Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids
Li, Zhen, Xiong, Shiyun, Sievers, Charles, Hu, Yue, Fan, Zheyong, Wei, Ning, Bao, Hua, Chen, Shunda, Donadio, Davide, Ala-Nissila, Tapio
Published in The Journal of chemical physics (21.12.2019)
Published in The Journal of chemical physics (21.12.2019)
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