Quench-rate and size-dependent behaviour in glassy Ge2Sb2Te5 models simulated with a machine-learned Gaussian approximation potential

Revealing the intrinsic nature of the mid-gap defects in amorphous Ge2Sb2Te5

(2019) Konstantinos Konstantinou et al.   Nature Communications

Revisiting the fragile-to-strong crossover in metallic glass-forming liquids: Application to CuxZrxAl100−2x alloy

(2019) René Alvarez-Donado et al.   Physical Review Materials

Origin of radiation tolerance in amorphous Ge2Sb2Te5phase-change random-access memory material

(2018) Konstantinos Konstantinou et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Atomistic insights into the nanosecond long amorphization and crystallization cycle of nanoscale Ge2Sb2Te5 : An ab initio molecular dynamics study

(2018) Paulo S. Branicio et al.   PHYSICAL REVIEW MATERIALS

Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential

(2018) Felix C. Mocanu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ab initio computer simulations of non-equilibrium radiation-induced cascades in amorphous Ge2Sb2Te5

(2018) Konstantinos Konstantinou et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Anomalous system-size dependence of properties at the fragile-to-strong transition in a bulk-metallic-glass forming melt

(2018) Sergey V. Sukhomlinov et al.   COMPUTATIONAL MATERIALS SCIENCE

Quasidiscontinuous change of the density correlation length at the fragile-to-strong transition in a bulk-metallic-glass forming melt

(2018) Sergey V. Sukhomlinov et al.   PHYSICAL REVIEW MATERIALS

Hydrogen adsorption on two catalysts for the ortho- to parahydrogen conversion: Cr-doped silica and ferric oxide gel

(2016) Monika Hartl et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Gaussian approximation potentials: A brief tutorial introduction

(2015) Albert P. Bartók et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Structure and ionic diffusion of alkaline-earth ions in mixed cation glasses A 2 O–2MO–4SiO 2 with molecular dynamics simulations

(2015) Konstantinos Konstantinou et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

First-principles study of a sodium borosilicate glass-former. II. The glass state

(2015) Laurent Pedesseau et al.   PHYSICAL REVIEW B

Cooling rate and size effects on the medium-range structure of multicomponent oxide glasses simulated by molecular dynamics

(2013) Antonio Tilocca   JOURNAL OF CHEMICAL PHYSICS

Effect of strontium substitution on the structure, ionic diffusion and dynamic properties of 45S5 Bioactive glasses

(2012) Jincheng Du et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Role of vacancies in metal–insulator transitions of crystalline phase-change materials

(2012) W. Zhang et al.   NATURE MATERIALS

Neural network interatomic potential for the phase change material GeTe

(2012) Gabriele C. Sosso et al.   PHYSICAL REVIEW B

Amorphous Ge15Te85: density functional, high-energy x-ray and neutron diffraction study

(2011) J Kalikka et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Polymorphism in phase-change materials: melt-quenched and as-deposited amorphous structures in Ge2Sb2Te5from density functional calculations

(2011) J. Akola et al.   PHYSICAL REVIEW B

Structural role of vacancies in the phase transition of Ge2Sb2Te5memory materials

(2011) T. H. Lee et al.   PHYSICAL REVIEW B

Pressure-induced reversible amorphization and an amorphous-amorphous transition in Ge2Sb2Te5 phase-change memory material

(2011) Z. Sun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First-principles study of liquid and amorphousSb2Te3

(2010) S. Caravati et al.   PHYSICAL REVIEW B

Strange Quark Contributions to Parity-Violating Asymmetries in the Backward Angle G0 Electron Scattering Experiment

(2010) D. Androić et al.   PHYSICAL REVIEW LETTERS

Density functional study of amorphous, liquid and crystalline Ge2Sb2Te5: homopolar bonds and/or AB alternation?

(2008) J Akola et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Microscopic origin of the fast crystallization ability of Ge–Sb–Te phase-change memory materials

(2008) J. Hegedüs et al.   NATURE MATERIALS

Generalized Langevin equation for solids. II. Stochastic boundary conditions for nonequilibrium molecular dynamics simulations

(2008) L. Kantorovich et al.   PHYSICAL REVIEW B

Local order in amorphousGe2Sb2Te5andGeSb2Te4

(2008) P. Jóvári et al.   PHYSICAL REVIEW B