A Neural Network Driven Approach for Characterizing the Interplay Between Short Range Ordering and Enthalpy of Mixing of Binary Subsystems in the NbTiVZr High Entropy Alloy

Hollow medium-entropy alloy nanolattices with ultrahigh energy absorption and resilience

(2021) James Utama Surjadi et al.   NPG Asia Materials

A data-driven approach to approximate the correlation functions in cluster variation method

(2021) Abhishek Kumar Thakur et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Short-range ordering governs brittleness and ductility in W-Ta solid solution: Insights from Pugh's shear-to-bulk modulus ratio

(2021) Honggang Liu et al.   SCRIPTA MATERIALIA

Combining multi-phase field simulation with neural network analysis to unravel thermomigration accelerated growth of Cu6Sn5 IMC at cold side Cu-Sn interface.

(2020) Anil Kunwar et al.   INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES

Quantum ESPRESSO toward the exascale

(2020) Paolo Giannozzi et al.   JOURNAL OF CHEMICAL PHYSICS

Bioinspired Gyrotropic Metamaterials with Multifarious Wave Adaptability and Multifunctionality

(2020) Lingxi Huang et al.   Advanced Optical Materials

Local-environment dependence of stacking fault energies in concentrated solid-solution alloys

(2019) Shijun Zhao et al.   npj Computational Materials

An Artificial Neural Network Model to Predict the Thermal Properties of Concrete Using Different Neurons and Activation Functions

(2019) Sehmus Fidan et al.   Advances in Materials Science and Engineering

Probing the entropy hypothesis in highly concentrated alloys

(2018) Cláudio Geraldo Schön et al.   ACTA MATERIALIA

(TiZrNbTa)-Mo high-entropy alloys: Dependence of microstructure and mechanical properties on Mo concentration and modeling of solid solution strengthening

(2018) Shao-Ping Wang et al.   INTERMETALLICS

Current and emerging practices of CALPHAD toward the development of high entropy alloys and complex concentrated alloys

(2018) Stéphane Gorsse et al.   JOURNAL OF MATERIALS RESEARCH

Electronegativity and enthalpy of mixing biplots for High Entropy Alloy solid solution prediction

(2018) Zhaoyuan Leong et al.   MATERIALS CHEMISTRY AND PHYSICS

Experimental determination and thermodynamic description of the Nb-V binary system

(2018) Jiangtao Gao et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Machine-learning the configurational energy of multicomponent crystalline solids

(2018) Anirudh Raju Natarajan et al.   npj Computational Materials

Short-Range Order in High Entropy Alloys: Theoretical Formulation and Application to Mo-Nb-Ta-V-W System

(2017) A. Fernández-Caballero et al.   JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION

Advanced capabilities for materials modelling with Quantum ESPRESSO

(2017) P Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy

(2017) F. X. Zhang et al.   PHYSICAL REVIEW LETTERS

First-principles study of phase equilibrium in Ti–V, Ti–Nb, and Ti–Ta alloys

(2016) Ravi Chinnappan et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Cluster expansion method and its application in computational materials science

(2016) Qu Wu et al.   COMPUTATIONAL MATERIALS SCIENCE

A new thermodynamic parameter to predict formation of solid solution or intermetallic phases in high entropy alloys

(2016) O.N. Senkov et al.   JOURNAL OF ALLOYS AND COMPOUNDS

A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds

(2016) Maarten de Jong et al.   Scientific Reports

Beyond Atomic Sizes and Hume-Rothery Rules: Understanding and Predicting High-Entropy Alloys

(2015) M. Claudia Troparevsky et al.   JOM

Cluster expansion made easy with Bayesian compressive sensing

(2013) Lance J. Nelson et al.   PHYSICAL REVIEW B

AFLOW: An automatic framework for high-throughput materials discovery

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

Phase stability in high entropy alloys: Formation of solid-solution phase or amorphous phase

(2012) Sheng GUO et al.   Progress in Natural Science-Materials International

Refractory high-entropy alloys

(2010) O.N. Senkov et al.   INTERMETALLICS

Cluster expansion and the configurational theory of alloys

(2010) J. M. Sanchez   PHYSICAL REVIEW B

Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit

(2009) Axel van de Walle   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The influence of short range order on the thermodynamics of Fe–Cr alloys

(2009) G Bonny et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Bayesian approach to cluster expansions

(2009) Tim Mueller et al.   PHYSICAL REVIEW B

Solid-Solution Phase Formation Rules for Multi-component Alloys

(2008) Y. Zhang et al.   ADVANCED ENGINEERING MATERIALS