H. Kimizuka

发表

First-principles Calculation on the Interaction of an Interstitial Hydrogen Atom with a Screw Dislocation in BCC Iron

M. Itakura, S. Ogata, H. Kaburaki, 2009 .

Effect of Defect on Structural and Optical Properties in Methyl-Ammonium Lead Iodide ( MAPI ) Perovskite via First Principles Calculations

Schmid, Nobuyuki, Y. Shibuta, 2018 .

Atomistic investigation of vacancy assisted diffusion mechanism in Mg ternary (Mg–RE–M) alloys

S. Ogata, H. Kimizuka, Marco Fronzi, 2015 .

Multi-replica molecular dynamics modeling

S. Ogata, H. Kimizuka, A. Ishii, 2012 .

Unraveling anomalous isotope effect on hydrogen diffusivities in fcc metals from first principles including nuclear quantum effects

M. Shiga, S. Ogata, H. Kimizuka, 2019, Physical Review B.

Two-Dimensional Ordering of Solute Nanoclusters at a Close-Packed Stacking Fault: Modeling and Experimental Analysis

A. Yamaguchi, S. Ogata, A. Sakai, 2014, Scientific Reports.

Long-range intercluster interactions of solute nanoprecipitates in Mg–Y alloys: A first-principles study

S. Ogata, K. Matsubara, H. Kimizuka, 2016 .

Predicting Atomic Arrangement of Solute Clusters in Dilute Mg Alloys

S. Ogata, H. Kimizuka, 2013 .

Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis

S. Ogata, H. Kimizuka, Marco Fronzi, 2013 .

Artificial neural network-based path integral simulations of hydrogen isotope diffusion in palladium

M. Shiga, H. Kimizuka, Bo Thomsen, 2022 .

Evaluation of Mechanical Properties and Negative Poisson's Ratio Behavior in Crystalline SiO2 Materials: An Atomistic Approach

Y. Shibutani, S. Ogata, H. Kimizuka, 2006 .

Hydrogen embrittlement controlled by reaction of dislocation with grain boundary in alpha-iron

Qingsong Mei, W. Geng, S. Ogata, 2018, International Journal of Plasticity.

Hydrogen trapping in carbon supersaturated α‑iron and its decohesion effect in martensitic steel

K. Tsuzaki, W. Geng, S. Ogata, 2018 .

Quantum–Thermal Crossover of Hydrogen and Tritium Diffusion in α-Iron

M. Shiga, T. Takayanagi, H. Kimizuka, 2012 .

Effect of temperature on fast hydrogen diffusion in iron: A path-integral quantum dynamics approach

Hajime Kimizuka, Hideki Mori, H. Mori, 2011 .

Slow diffusion of hydrogen at a screw dislocation core in α-iron

S. Ogata, H. Kimizuka, 2011 .

Adaptive-boost molecular dynamics simulation of carbon diffusion in iron

Hajime Kimizuka, Ju Li, Ju Li, 2012 .

From “Smaller is Stronger” to “Size‐Independent Strength Plateau”: Towards Measuring the Ideal Strength of Iron

C. Weinberger, E. Ma, Xi-xiang Zhang, 2015, Advanced materials.

Short-Range Order Clusters in the Long-Period Stacking/Order Phases With an Intrinsic-I Type Stacking Fault in Mg-Co-Y Alloys

E. Abe, K. Guan, Y. Kawamura, 2022, SSRN Electronic Journal.

Elastic properties of an Mg-Zn-Y alloy single crystal with a long-period stacking-ordered structure

K. Hagihara, Y. Kawamura, Y. Nagai, 2013 .

Formation of {112¯1} twins from I1-type stacking faults in Mg: A molecular dynamics study

S. Ogata, K. Matsubara, H. Kimizuka, 2016 .

Insignificant elastic-modulus mismatch and stress partitioning in two-phase Mg–Zn–Y alloys comprised of α-Mg and long-period stacking ordered phases

K. Hagihara, Y. Kawamura, M. Yamasaki, 2018 .

Atomistic characterization of structural and elastic properties of auxetic crystalline SiO2

Y. Shibutani, S. Ogata, H. Kimizuka, 2007 .

Elastic isotropy originating from heterogeneous interlayer elastic deformation in a Ti3SiC2 MAX phase with a nanolayered crystal structure

T. Sekino, Y. Sakka, K. Morita, 2020 .

First-principles Calculation on Screw Dislocation Core Properties in BCC Molybdenum

T. Kano, Ju Li, S. Ogata, 2007 .

Direct observation of nonequivalent Fermi-arc states of opposite surfaces in the noncentrosymmetric Weyl semimetal NbP

T. Oguchi, Yukio Tanaka, K. Yamauchi, 2015, 1510.01503.

Core structure and Peierls barrier of basal edge dislocations in Ti3AlC Y. Shiihara, H. Kimizuka, Rana Hossain, 2022, Computational Materials Science.

Accurate Description of Hydrogen Diffusivity in bcc Metals Using Machine-Learning Moment Tensor Potentials and Path-Integral Methods

M. Shiga, H. Kimizuka, T. Oda, 2023, SSRN Electronic Journal.

Two distinct non-Arrhenius behaviors of hydrogen diffusivities in fcc aluminum, silver, and copper determined by ab initio path integral simulations

M. Shiga, H. Kimizuka, 2021, Physical Review Materials.

Mechanism of fast lattice diffusion of hydrogen in palladium: Interplay of quantum fluctuations and lattice strain

M. Shiga, S. Ogata, H. Kimizuka, 2018 .

Competing nucleation of single- and double-layer Guinier–Preston zones in Al–Cu alloys

S. Ogata, H. Kimizuka, H. Miyoshi, 2021, Scientific Reports.

Mechanical properties of Fe-rich Si alloy from Hamiltonian

Ying Chen, M. Kohyama, T. Mohri, 2017, npj Computational Materials.

Complete set of elastic constants of α -quartz at high pressure: A first-principles study

Ju Li, Y. Shibutani, S. Ogata, 2007 .

Molecular dynamics study of the high‐temperature elasticity of SiO2 polymorphs: Structural phase transition and elastic anomaly

H. Kaburaki, H. Kimizuka, 2005 .

Molecular-dynamics study of the high-temperature elasticity of quartz above the α-β phase transition

Hajime Kimizuka, Hideo Kaburaki, Yoshiaki Kogure, 2003 .

Effects of stacking sequence and short-range ordering of solute atoms on elastic properties of Mg–Zn–Y alloys with long-period stacking ordered structures

Shinsuke Suzuki, T. Sekino, K. Hagihara, 2015 .

Hydrostatic compression and high-pressure elastic constants of coesite silica

Hajime Kimizuka, Ju Li, Ju Li, 2008 .

Origin of the nucleation preference of coherent and semicoherent nanoprecipitates in Al--Cu alloys based on atomistically informed classical nucleation theory

S. Ogata, H. Kimizuka, H. Miyoshi, 2022, Journal of Alloys and Compounds.

Enhancement of nanovoid formation in annealed amorphous Al2O3 including W

A. Hirata, H. Nakajima, M. Ishimaru, 2011 .

Temperature-dependent nucleation kinetics of Guinier-Preston zones in Al–Cu alloys: An atomistic kinetic Monte Carlo and classical nucleation theory approach

S. Ogata, H. Kimizuka, H. Miyoshi, 2019, Acta Materialia.

Controlling Factors for the Formation of Guinier-Preston Zones in Al-Cu Alloys: An Atomistic Study

S. Ogata, H. Kimizuka, Y. Nakagami, 2016 .

First-principles Calculation on Core Structures and Peierls Stress of a Screw Dislocation in BCC Iron

T. Kano, M. Itakura, S. Ogata, 2007 .

Two distinct crystallization processes in supercooled liquid.

T. Ichitsubo, H. Kimizuka, M. Tane, 2016, The Journal of chemical physics.

Nanoclusters first: a hierarchical phase transformation in a novel Mg alloy

H. Okuda, Y. Kawamura, M. Yamasaki, 2015, Scientific Reports.

The Energetics of Large Deformations of a Single Polyimide Molecular Chain: DFT and MO Calculations

Y. Shibutani, S. Ogata, H. Kimizuka, 2008 .

Nanoclusters in stacking faults in Mg-Y-Zn alloys examined by small-angle X-ray scattering and Extended X-ray Absorption Fine Structure analysis

H. Okuda, H. Nitani, Y. Kawamura, 2023, Acta Materialia.

Molecular dynamics study on the formation of stacking fault tetrahedra and unfaulting of Frank loops in fcc metals

S. Jitsukawa, Ju Li, H. Kaburaki, 2007 .

Nucleation kinetics of the β″ precipitate in dilute Mg–Y alloys: A kinetic Monte Carlo study

S. Ogata, H. Kimizuka, J. Du, 2022, Scripta Materialia.

Observation of two-dimensional bulk electronic states in the superconducting topological insulator heterostructureCux(PbSe)5(Bi2Se3)6: Implications for unconventional superconductivity

T. Takahashi, S. Sasaki, Y. Ando, 2015, 1504.01270.

Asymmetry in core structure and mobility of basal dislocations in a Ti3SiC2 MA

H. Kimizuka, Rana Hossain, Shigenobu Ogata, 2023, Physical Review Materials.

Dynamical thermal conductivity of argon crystal

Ju Li, S. Yip, H. Kaburaki, 2007 .

Nanovoid formation by change in amorphous structure through the annealing of amorphous Al2O3 thin films

H. Nakajima, H. Ogi, M. Ishimaru, 2011 .

Hydrogen bubble nucleation in α-iron

W. Geng, S. Ogata, H. Kimizuka, 2017 .

Crack-tip dislocation nanostructures in dynamical fracture of fcc metals : Amolecular dynamics study

Ju Li, H. Kaburaki, F. Shimizu, 2003 .

Mechanism for negative poisson ratios over the alpha- beta transition of cristobalite, SiO2: A molecular-dynamics study

Kogure, Kimizuka, H. Kimizuka, 2000, Physical review letters.

DFT-based FEM analysis of nonlinear effects on indentation process in diamond crystal

S. Ogata, N. Toda, H. Kimizuka, 2010 .

Density-Functional-Theory-Based Finite-Element Analysis of Diamond Single Crystal

S. Ogata, N. Toda, H. Kimizuka, 2009 .