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兰州理工大学 [29]

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	Structure stability, electronic property and voltage profile of LiFe1−nNnP1−mM mO4 olivine cathode material 期刊论文 Rare Metals, 2021, 卷号: 40, 期号: 12, 页码: 3512-3519 作者: Cui, Zhi-Hong; Lu, Xue-Feng; Luo, Jian-Hua; Guo, Xin; Xue, Hong-Tao 收藏 \| 浏览/下载：19/0 \| 提交时间：2022/02/17 Cathodes Computation theory Density functional theory Electronic properties Energy gap Silicate minerals Silicon Stability Charge density difference Computational studies Electrode material Lithium Intercalation N-type semiconductors P type semiconductor Structural stabilities Structure stability
	Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of gamma-Ni/gamma '-Ni3Al interface 期刊论文 PHYSICS LETTERS A, 2021, 卷号: 408 作者: Ahmeda, Fawaz Alnoman Mohammed; Xue, Hong-Tao; Tang, Fu-Ling; Ren, Jun-Qiang; Lu, Xue-Feng 收藏 \| 浏览/下载：4/0 \| 提交时间：2021/10/14 gamma-Ni/gamma '-Ni3Al phase interface Co-segregation Formation energy Fracture strength First-principles calculations Nickel-based single-crystal superalloys
	Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface 期刊论文 Physics Letters, Section A: General, Atomic and Solid State Physics, 2021, 卷号: 408 作者: Ahmed, Fawaz Alnoman Mohammed; Xue, Hong-Tao; Tang, Fu-Ling; Ren, Jun-Qiang; Lu, Xue-Feng 收藏 \| 浏览/下载：17/0 \| 提交时间：2022/02/17 Binding energy Calculations Density functional theory Fracture Fracture toughness Nickel Nickel alloys Segregation (metallography) Single crystals Binding strength Co-segregation Density-functional-theory First principle calculations Formation energies Interfacial fracture Ni$-3$/Al Nickel-based single-crystal superalloy Pseudogaps Γ-ni/γ'-ni3al phase interface
	Unraveling the formation mechanism of hydrogenated vacancy at gamma-Ni/gamma '-Ni3Al phase interface and its roles in interfacial stability and strength 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 194 作者: Xue, Hong-Tao; Li, Ji-Zheng; Tang, Fu-Ling; Lu, Xue-Feng; Ren, Jun-Qiang 收藏 \| 浏览/下载：2/0 \| 提交时间：2021/10/14 Ni-based superalloys gamma/gamma ' phase interface Hydrogenated vacancy Griffith fracture work First-principles calculation Hydrogen embrittlement
	Unraveling the formation mechanism of hydrogenated vacancy at γ-Ni/γ'-Ni3Al phase interface and its roles in interfacial stability and strength 期刊论文 Computational Materials Science, 2021, 卷号: 194 作者: Xue, Hong-Tao; Li, Ji-Zheng; Tang, Fu-Ling; Lu, Xue-Feng; Ren, Jun-Qiang 收藏 \| 浏览/下载：20/0 \| 提交时间：2022/02/17 Atoms Fracture Fracture toughness Hydrogen Hydrogen embrittlement Hydrogenation Interface states Nickel alloys Phase interfaces Single crystals Stability Superalloys First principle calculations Formation mechanism Griffith fracture work Hydrogen atoms Hydrogenated vacancy Interfacial fracture Interfacial stabilities Ni$-3$/Al Ni-based superalloys Γ/γ' phase interface
	Structure stability, electronic property and voltage profile of LiFe(1-n)NnP(1-m)M(m)O(4) olivine cathode material 期刊论文 RARE METALS, 2021, 卷号: 40, 期号: 12, 页码: 3512-3519 作者: Cui, Zhi-Hong; Lu, Xue-Feng; Luo, Jian-Hua; Guo, Xin; Xue, Hong-Tao 收藏 \| 浏览/下载：2/0 \| 提交时间：2021/06/03 Energy storage materials First principles Battery cathode LiFePO4 Doping Electronic properties
	Segregation of alloying elements and their effects on the thermodynamic stability and fracture strength of γ-Ni/γ′-Ni3Al interface 期刊论文 Journal of Materials Science, 2020, 卷号: 55, 期号: 26, 页码: 12513-12524 作者: Ahmed, Fawaz Alnoman Mohammed; Xue, Hong-Tao; Tang, Fu-Ling; An, Jun-Peng; Luo, Ya-Qiao 收藏 \| 浏览/下载：17/0 \| 提交时间：2022/02/17 Alloying Alloying elements Calculations Fracture Fracture toughness Nickel alloys Nickel compounds Phase interfaces Single crystals Stability Superalloys Thermodynamic stability Thermodynamics Bonding strength Densities of state First-principles calculation Interfacial fracture Interfacial segregation Micro mechanisms Microstructural stability Single crystal superalloys
	Segregation of alloying elements and their effects on the thermodynamic stability and fracture strength of γ-Ni/γ′-Ni3Al interface 期刊论文 Journal of Materials Science, 2020, 卷号: 55, 期号: 26, 页码: 12513-12524 作者: Ahmed, Fawaz Alnoman Mohammed; Xue, Hong-Tao; Tang, Fu-Ling; An, Jun-Peng; Luo, Ya-Qiao 收藏 \| 浏览/下载：2/0 \| 提交时间：2020/11/14 Alloying Alloying elements Calculations Fracture Fracture toughness Nickel alloys Nickel compounds Phase interfaces Single crystals Stability Superalloys Thermodynamic stability Thermodynamics Bonding strength Densities of state First-principles calculation Interfacial fracture Interfacial segregation Micro mechanisms Microstructural stability Single crystal superalloys
	Cluster expansion Monte Carlo study of indium-aluminum segregation and homogenization in CuInSe2-CuAlSe2pseudobinary alloys 期刊论文 Physical Chemistry Chemical Physics, 2020, 卷号: 22, 期号: 26, 页码: 14694-14703 作者: Xue, Hong-Tao; Yu, Xu-Dong; Aarons, Jolyon; Tang, Fu-Ling; Lu, Xue-Feng 收藏 \| 浏览/下载：3/0 \| 提交时间：2020/11/14 Atoms Binary alloys Calculations Copper alloys Indium Indium alloys Monte Carlo methods Solar energy Boltzmann function Cluster morphology First-principles calculation Formation energies Homogeneous phase Phase segregations Temperature increase Temperature range
	Cluster expansion Monte Carlo study of indium-aluminum segregation and homogenization in CuInSe2-CuAlSe2pseudobinary alloys 期刊论文 Physical Chemistry Chemical Physics, 2020, 卷号: 22, 期号: 26, 页码: 14694-14703 作者: Xue, Hong-Tao; Yu, Xu-Dong; Aarons, Jolyon; Tang, Fu-Ling; Lu, Xue-Feng 收藏 \| 浏览/下载：17/0 \| 提交时间：2022/02/17 Atoms Binary alloys Calculations Copper alloys Indium Indium alloys Monte Carlo methods Solar energy Boltzmann function Cluster morphology First-principles calculation Formation energies Homogeneous phase Phase segregations Temperature increase Temperature range

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