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Accelerating optimization of IN718 by mapping alloying effects on phase stabilities and mechanical properties using high-throughput calculations

Materials & design, 2022-05, Vol.217, p.110603, Article 110603

2022

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Polarization enhancement in perovskite superlattices by oxygen octahedral tilts

Computational materials science, 2014-08, Vol.91, p.310-314

2014

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Phenomenological band structure model of magnetic coupling in semiconductors

Solid state communications, 2006-05, Vol.138 (7), p.353-358

2006

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Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites

Angewandte Chemie (International ed.), 2015-02, Vol.54 (6), p.1791-1794

International ed. in English, 2015

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First-principles study on the electronic and optical properties of cubic ABX3 halide perovskites

Physics letters. A, 2014-01, Vol.378 (3), p.290-293

2014

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Glass transition in disordered clusters

Physics letters. A, 2019-08, Vol.383 (22), p.2604-2609

2019

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Monte Carlo simulation of surface de-alloying of Au/Ni(1 1 0)

Surface science, 2004-08, Vol.562 (1), p.219-225

2004

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Microscopic mechanism of spin-order induced improper ferroelectric polarization

Computational materials science, 2016-02, Vol.112, p.448-458

2016

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Accelerating the discovery of novel γ/γ' Co-based superalloys by probing temperature and alloying effects on the γ' precipitates

Materialia, 2021-08, Vol.18, p.101171, Article 101171

2021

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Structural and electronic properties of cubic HfO2 surfaces

Computational materials science, 2008-11, Vol.44 (1), p.46-52

2008

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Self-Assembled Water Molecules as a Functional Valve for a High-Pressure Nanocontainer

Angewandte Chemie (International ed.), 2013-02, Vol.52 (7), p.1973-1976

International ed. in English, 2013

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Structure and dynamic properties of neutral and ionized SiH5 and Si2H3

Chemical physics letters, 1997-08, Vol.275 (3-4), p.392-398

1997

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Structures and magnetic moments of Nin () clusters

Physics letters. A, 2007-01, Vol.360 (4-5), p.629-631

2007

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Structures and magnetic moments of Ni n ( n = 10 ∼ 60 ) clusters

Physics letters. A, 2007-01, Vol.360 (4), p.629-631

2007

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Prediction of structural evolution for clusters: The pair potential cases

Chemical physics letters, 2009-05, Vol.474 (1), p.119-121

2009

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A nanocontainer for the storage of hydrogen

Carbon (New York), 2007-02, Vol.45 (2), p.315-320

2007

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Generalized simulated annealing algorithm and its application to the Thomson model

Physics letters. A, 1997-08, Vol.233 (3), p.216-220

1997

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First-principles study of adsorption and diffusion on Ge/Si(0 0 1)-(2 × 8) and Ge/Si(1 0 5)-(1 × 2) surfaces

Surface science, 2007-07, Vol.601 (14), p.3067-3072

2007

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Structures and properties of Ni nanowires

Physics letters. A, 2004-10, Vol.331 (5), p.332-336

2004

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Structural and electronic properties of Al 7I n ( n = 1, 2, 3)

Chemical physics letters, 2006, Vol.420 (1), p.125-129

2006

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Characterization of the interface between the Hf-based high- k thin film and the Si using spatially resolved electron energy-loss spectroscopy

Micron (Oxford, England : 1993), 2010, Vol.41 (1), p.15-19

2010

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Structural and electronic properties of Al7In (n=1,2,3)

Chemical physics letters, 2006-03, Vol.420 (1-3), p.125-129

2006

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Relative stability of missing-row reconstructed (1 1 0) surfaces of noble metals

Applied surface science, 2003-10, Vol.219 (1), p.129-135

2003

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Simulation of Ni cluster diffusion on Au(1 1 0)-(1 × 2) surface

Applied surface science, 2003-10, Vol.219 (1), p.117-122

2003

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Metallic coverings of calcium on C60

Chemical physics letters, 2001-02, Vol.334 (4-6), p.238-244

2001

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Accelerating optimization of IN718 by mapping alloying effects on phase stabilities and mechanical properties using high-throughput calculations

Polarization enhancement in perovskite superlattices by oxygen octahedral tilts

Phenomenological band structure model of magnetic coupling in semiconductors

Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites

First-principles study on the electronic and optical properties of cubic ABX3 halide perovskites

Glass transition in disordered clusters

Monte Carlo simulation of surface de-alloying of Au/Ni(1 1 0)

Microscopic mechanism of spin-order induced improper ferroelectric polarization

Accelerating the discovery of novel γ/γ' Co-based superalloys by probing temperature and alloying effects on the γ' precipitates

Structural and electronic properties of cubic HfO2 surfaces

Self-Assembled Water Molecules as a Functional Valve for a High-Pressure Nanocontainer

Structure and dynamic properties of neutral and ionized SiH5 and Si2H3

Structures and magnetic moments of Nin () clusters

Structures and magnetic moments of Ni n ( n = 10 ∼ 60 ) clusters

Prediction of structural evolution for clusters: The pair potential cases

A nanocontainer for the storage of hydrogen

Generalized simulated annealing algorithm and its application to the Thomson model

First-principles study of adsorption and diffusion on Ge/Si(0 0 1)-(2 × 8) and Ge/Si(1 0 5)-(1 × 2) surfaces

Structures and properties of Ni nanowires

Structural and electronic properties of Al 7I n ( n = 1, 2, 3)

Characterization of the interface between the Hf-based high- k thin film and the Si using spatially resolved electron energy-loss spectroscopy

Structural and electronic properties of Al7In (n=1,2,3)

Relative stability of missing-row reconstructed (1 1 0) surfaces of noble metals

Simulation of Ni cluster diffusion on Au(1 1 0)-(1 × 2) surface

Metallic coverings of calcium on C60

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