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Journal Articles

Exploring the electronic structure and lithium diffusion kinetics of amorphous tungsten oxide

Chao Tang, Huachen Liu, Changlong Cai
Journal: AIP Advances
AIP Advances 14, 095117 (2024)
https://doi.org/10.1063/5.0229132
Published: September 2024
View article titled, Exploring the electronic structure and lithium diffusion kinetics of amorphous tungsten oxide
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Journal Articles

Study on the cracking process of epoxy resin under oxygen and water atmosphere based on ReaxFF force field

Xiajin Rao, Boya Peng, Lei Zhang, Dajian Li, Wei Zhang, Peng Liu, Fangyuan Han, Liangyuan Chen, Yi Su, Le Wang, Shaoming Pan, Rui Li, Wei Huang, Min Yu
Journal: AIP Advances
AIP Advances 14, 095112 (2024)
https://doi.org/10.1063/5.0226686
Published: September 2024
View article titled, Study on the cracking process of epoxy resin under oxygen and water atmosphere based on ReaxFF force field
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Journal Articles

Unfolding band structure and topological property of 3d transition metal doped monolayer CrTe2: A first-principle calculation

Pengfei Yan, Guanqi Li, Zhihao Li, Yafei Zhao, Liang He
Journal: AIP Advances
AIP Advances 14, 095010 (2024)
https://doi.org/10.1063/5.0225476
Published: September 2024
View article titled, Unfolding band structure and topological property of 3<em>d</em> transition metal doped monolayer CrTe<sub>2</sub>: A first-principle calculation
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Journal Articles

Density functional theory study of physisorption of ionic liquid pairs on hydroxylated and oxygen terminated α-SiO2 (001) surfaces

Xiangjian Wang, Oleg. N. Antzutkin, J. Andreas Larsson
Journal: AIP Advances
AIP Advances 14, 095004 (2024)
https://doi.org/10.1063/5.0221708
Published: September 2024
View article titled, Density functional theory study of physisorption of ionic liquid pairs on hydroxylated and oxygen terminated α-SiO<sub>2</sub> (001) surfaces
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Journal Articles

Modeling swift heavy ion irradiation of substrate-supported two-dimensional material via two-temperature molecular dynamics simulations

Tan Shi, Xiqiang Xu, Hao Wan, Pei Jia, Ping Zhang, Huan He, Rui Gao, Chenyang Lu
Journal: AIP Advances
AIP Advances 14, 085322 (2024)
https://doi.org/10.1063/5.0227721
Published: August 2024
View article titled, Modeling swift heavy ion irradiation of substrate-supported two-dimensional material via two-temperature molecular dynamics simulations
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Journal Articles

Thermally frustrated phase transition at high pressure in B2-ordered FeV

Homero Reyes-Pulido, Bimal K C, Ravhi S. Kumar, Russell J. Hemley, Jorge A. Muñoz
Journal: AIP Advances
AIP Advances 14, 075108 (2024)
https://doi.org/10.1063/5.0219881
Published: July 2024
View article titled, Thermally frustrated phase transition at high pressure in <em>B</em>2-ordered FeV
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Journal Articles

Chemical heterogeneity size effects at nanoscale on interface thermal resistance of solid–liquid polymer interface via molecular dynamics simulations

Qing-Yao Luo, Donatas Surblys, Hiroki Matsubara, Taku Ohara
Journal: AIP Advances
AIP Advances 14, 075305 (2024)
https://doi.org/10.1063/5.0218506
Published: July 2024
View article titled, Chemical heterogeneity size effects at nanoscale on interface thermal resistance of solid–liquid polymer interface via molecular dynamics simulations
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Journal Articles

Group superatoms: A new concept in cluster science

Boyi Zhao, Shan Xia, Zhen Yu, Jingwen Tian, Liren Liu
Journal: AIP Advances
AIP Advances 14, 075101 (2024)
https://doi.org/10.1063/5.0217967
Published: July 2024
View article titled, Group superatoms: A new concept in cluster science
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Journal Articles

Computational insights and phase transition of ruthenium alloy by classical molecular dynamics simulations

Afira Mariam, Seungho Choe
Journal: AIP Advances
AIP Advances 14, 065134 (2024)
https://doi.org/10.1063/5.0196222
Published: June 2024
View article titled, Computational insights and phase transition of ruthenium alloy by classical molecular dynamics simulations
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Includes: Supplementary data
Journal Articles

Investigating molecular interactions between Kaiso and nuclear co-repressor using molecular simulations

Bidhya Thapa, Narayan P. Adhikari
Journal: AIP Advances
AIP Advances 14, 065030 (2024)
https://doi.org/10.1063/5.0211323
Published: June 2024
View article titled, Investigating molecular interactions between Kaiso and nuclear co-repressor using molecular simulations
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Journal Articles

Experimental and theoretical studies on self-diffusion in amorphous germanium

Tim Böckendorf, Jan Kirschbaum, Felix Kipke, Dominique Bougeard, John Lundsgaard Hansen, Arne Nylandsted Larsen, Matthias Posselt, Hartmut Bracht
Journal: AIP Advances
AIP Advances 14, 065129 (2024)
https://doi.org/10.1063/5.0183578
Published: June 2024
View article titled, Experimental and theoretical studies on self-diffusion in amorphous germanium
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Journal Articles

Challenge of fabricating difficult-to-nitride materials: Formation of martensitic phase in (Fe0.8Co0.2)8N foil based on industrially suitable gas-nitriding process

Tomohiro Tabata (田畑智弘), Matahiro Komuro (小室又洋), Yusuke Asari (浅利裕介), Shinya Tamura (田村慎也), Masafumi Nojima (能島雅史), Tomio Iwasaki (岩崎富生), Shohei Terada (寺田尚平)
Journal: AIP Advances
AIP Advances 14, 065217 (2024)
https://doi.org/10.1063/5.0214130
Published: June 2024
View article titled, Challenge of fabricating difficult-to-nitride materials: Formation of martensitic phase in (Fe<sub>0.8</sub>Co<sub>0.2</sub>)<sub>8</sub>N foil based on industrially suitable gas-nitriding process
Open the PDF for Challenge of fabricating difficult-to-nitride materials: Formation of martensitic phase in (Fe<sub>0.8</sub>Co<sub>0.2</sub>)<sub>8</sub>N foil based on industrially suitable gas-nitriding process in another window
Journal Articles

Effects of convex surface roughness on heterogeneous ice nucleation

Yixiang Wang, Jingwen Mo, Shuang Luo, Yu Zhang, Baoling Huang, Zhigang Li
Journal: AIP Advances
AIP Advances 14, 055214 (2024)
https://doi.org/10.1063/5.0201339
Published: May 2024
View article titled, Effects of convex surface roughness on heterogeneous ice nucleation
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