A machine-learning interatomic potential to understand the anisotropic fracture behavior of BaZrO3 material

High-Temperature Elastic Properties of Yttrium-Doped Barium Zirconate

(2021) Fumitada Iguchi et al.   Metals

Crack Length Effect on the Fracture Behavior of Single-Crystals and Bi-Crystals of Aluminum

(2021) Wilmer Velilla-Díaz et al.   Nanomaterials

Molecular dynamics simulation of edge crack propagation in single crystalline alpha quartz

(2021) Fatemeh Molaei   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Review on zirconate-cerate-based electrolytes for proton-conducting solid oxide fuel cell

(2019) Nur Lina Rashidah Mohd Rashid et al.   CERAMICS INTERNATIONAL

Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics

(2018) Linfeng Zhang et al.   PHYSICAL REVIEW LETTERS

Impact of point defects on the elastic properties of BaZrO3: Comprehensive insight from experiments and ab initio calculations

(2018) M.F. Hoedl et al.   ACTA MATERIALIA

Machine learning for molecular and materials science

(2018) Keith T. Butler et al.   NATURE

Effects of surface crack on the mechanical properties of Silica: A molecular dynamics simulation study

(2018) Sanjib C. Chowdhury et al.   ENGINEERING FRACTURE MECHANICS

Role of grain boundaries in determining strength and plastic deformation of yttria-stabilized tetragonal zirconia bicrystals

(2017) Ning Zhang et al.   JOURNAL OF MATERIALS SCIENCE

A review on proton conducting electrolytes for clean energy and intermediate temperature-solid oxide fuel cells

(2017) Shahzad Hossain et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Enhanced Proton Conductivity in Y-Doped BaZrO3 via Strain Engineering

(2017) Aline Fluri et al.   Advanced Science

Probing the Soft and Nanoductile Mechanical Nature of Single and Polycrystalline Organic–Inorganic Hybrid Perovskites for Flexible Functional Devices

(2016) Jingui Yu et al.   ACS Nano

Competing mechanisms between dislocation and phase transformation in plastic deformation of single crystalline yttria-stabilized tetragonal zirconia nanopillars

(2016) Ning Zhang et al.   ACTA MATERIALIA

Perspective: Machine learning potentials for atomistic simulations

(2016) Jörg Behler   JOURNAL OF CHEMICAL PHYSICS

Numerical thermomechanical modelling of solid oxide fuel cells

(2015) Murat Peksen   PROGRESS IN ENERGY AND COMBUSTION SCIENCE

Chemical Expansion Due to Hydration of Proton-Conducting Perovskite Oxide Ceramics

(2014) Annika K. E. Andersson et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

BaCeO3: Materials development, properties and application

(2013) D. Medvedev et al.   PROGRESS IN MATERIALS SCIENCE

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Molecular dynamics based cohesive zone law for describing Al–SiC interface mechanics

(2011) Chinmaya R. Dandekar et al.   COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING

Defect chemistry and proton-dopant association in BaZrO3 and BaPrO3

(2010) Stephen J. Stokes et al.   JOURNAL OF MATERIALS CHEMISTRY

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

Ultra-strength materials

(2010) Ting Zhu et al.   PROGRESS IN MATERIALS SCIENCE

Oxygen diffusion in yttria-stabilized zirconia subjected to uniaxial stress

(2010) Wakako Araki et al.   SOLID STATE IONICS

General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions

(2009) Aidan P. Thompson et al.   JOURNAL OF CHEMICAL PHYSICS