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@@ -1528,7 +1528,7 @@ @Article{Jin_PhysChemChemPhys_2021_v23_p21470
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@Article{Bu_SolarEnergyMaterialsandSolarCells_2021_v232_p111346,
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author = {Min Bu and Wenshuo Liang and Guimin Lu and Jianguo Yu},
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title = {{Local structure elucidation and properties prediction on
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KCl{\textendash}CaCl2 molten salt: A deep potential molecular dynamics
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KCl{-}CaCl2 molten salt: A deep potential molecular dynamics
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study}},
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journal = {Solar Energy Materials and Solar Cells},
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year = 2021,
@@ -1828,7 +1828,7 @@ @Article{Zhao_Ionics_2021_v27_p2079
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@Article{Jiang_ChinesePhysB_2021_v30_p050706,
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author = {Wanrun Jiang and Yuzhi Zhang and Linfeng Zhang and Han Wang},
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title = {{Accurate Deep Potential model for the Al{\textendash}Cu{\textendash}Mg
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title = {{Accurate Deep Potential model for the Al{-}Cu{-}Mg
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alloy in the full concentration space*}},
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journal = {Chinese Phys. B},
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year = 2021,
@@ -1841,7 +1841,7 @@ @Article{Jiang_ChinesePhysB_2021_v30_p050706
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of matter via atomistic simulation. This has been particularly
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challenging for multi-component alloy systems due to the complex and
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non-linear nature of the associated PES. In this work, we develop an
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accurate PES model for the Al{\textendash}Cu{\textendash}Mg system by
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accurate PES model for the Al{-}Cu{-}Mg system by
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employing deep potential (DP), a neural network based representation
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of the PES, and DP generator (DP-GEN), a concurrent-learning scheme
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that generates a compact set of <jats:italic>ab initio</jats:italic>
@@ -1852,7 +1852,7 @@ @Article{Jiang_ChinesePhysB_2021_v30_p050706
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interstitial energy, vacancy and surface formation energy, as well as
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elastic moduli. Extensive benchmark shows that the DP model is ready
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and will be useful for atomistic modeling of the
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Al{\textendash}Cu{\textendash}Mg system within the full range of
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Al{-}Cu{-}Mg system within the full range of
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concentration.</jats:p>},
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doi = {10.1088/1674-1056/abf134},
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}
@@ -2272,7 +2272,7 @@ @article{Liu_JVacuumSciTech_2022_v40_p023205
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@Article{Wang_ModellingSimulMaterSciEng_2022_v30_p025003,
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author = {YiNan Wang and LinFeng Zhang and Ben Xu and XiaoYang Wang and Han Wang},
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title = {{A generalizable machine learning potential of Ag{\textendash}Au
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title = {{A generalizable machine learning potential of Ag{-}Au
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nanoalloys and its application to surface reconstruction, segregation
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and diffusion}},
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journal = {Modelling Simul. Mater. Sci. Eng.},
@@ -2281,17 +2281,17 @@ @Article{Wang_ModellingSimulMaterSciEng_2022_v30_p025003
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issue = 2,
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pages = 025003,
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annote = {<jats:title>Abstract</jats:title> <jats:p>Owing to the
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excellent catalytic properties of Ag{\textendash}Au binary nanoalloys,
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nanostructured Ag{\textendash}Au, such as Ag{\textendash}Au
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excellent catalytic properties of Ag{-}Au binary nanoalloys,
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nanostructured Ag{-}Au, such as Ag{-}Au
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nanoparticles and nanopillars, has been under intense investigation.
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To achieve high accuracy in molecular simulations of Ag{\textendash}Au
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To achieve high accuracy in molecular simulations of Ag{-}Au
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nanoalloys, the surface properties must be modeled with first-
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principles precision. In this work, we constructed a generalizable
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machine learning interatomic potential for Ag{\textendash}Au
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machine learning interatomic potential for Ag{-}Au
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nanoalloys based on deep neural networks trained from a database
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constructed with first-principles calculations. This potential is
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highlighted by the accurate prediction of Au (111) surface
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reconstruction and the segregation of Au toward the Ag{\textendash}Au
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reconstruction and the segregation of Au toward the Ag{-}Au
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nanoalloy surface, where the empirical force field (EFF) failed in
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both cases. Moreover, regarding the adsorption and diffusion of
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adatoms on surfaces, the overall performance of our potential is
@@ -2300,7 +2300,7 @@ @Article{Wang_ModellingSimulMaterSciEng_2022_v30_p025003
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surface configurations is explicitly included in the training
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database; therefore, the reported potential is expected to have a
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strong generalization ability to a wide range of properties and to
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play a key role in investigating nanostructured Ag{\textendash}Au
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play a key role in investigating nanostructured Ag{-}Au
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evolution, where accurate descriptions of free surfaces are
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necessary.</jats:p>},
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doi = {10.1088/1361-651X/ac4002},
@@ -2321,7 +2321,7 @@ @Article{Xie_JPhysCondensMatter_2022_v34_p075402
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author = {Kun Xie and Chong Qiao and Hong Shen and Riyi Yang and Ming Xu and
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Chao Zhang and Yuxiang Zheng and Rongjun Zhang and Liangyao Chen and
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Kai-Ming Ho and Cai-Zhuang Wang and Songyou Wang},
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title = {{Neural network potential for Zr{\textendash}Rh system by machine
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title = {{Neural network potential for Zr{-}Rh system by machine
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learning}},
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journal = {J. Phys. Condens. Matter},
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year = 2022,

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