A brief review of data-driven ICME for intelligently discovering advanced structural metal materials: Insight into atomic and electronic building blocks

Analyzing machine learning models to accelerate generation of fundamental materials insights

(2019) Mitsutaro Umehara et al.   npj Computational Materials

Local lattice distortion mediated formation of stacking faults in Mg alloys

(2019) William Yi Wang et al.   ACTA MATERIALIA

Pitting Corrosion of Natural Aged Al–Mg–Si Extrusion Profile

(2019) Quanmei Guan et al.   Materials

New frontiers for the materials genome initiative

(2019) Juan J. de Pablo et al.   npj Computational Materials

MatCALO: Knowledge-enabled machine learning in materials science

(2019) Mareike Picklum et al.   COMPUTATIONAL MATERIALS SCIENCE

Interstitial triggered grain boundary embrittlement of Al–X (X = H, N and O)

(2019) William Yi Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Predictive model of hydrogen trapping and bubbling in nanovoids in bcc metals

(2019) Jie Hou et al.   NATURE MATERIALS

Direct observation and impact of co-segregated atoms in magnesium having multiple alloying elements

(2019) Xiaojun Zhao et al.   Nature Communications

High-entropy alloys

(2019) Easo P. George et al.   Nature Reviews Materials

When a defect is a pathway to improve stability: a case study of the L12 Co3TM superlattice intrinsic stacking fault

(2019) Ying Zhang et al.   JOURNAL OF MATERIALS SCIENCE

Tuning element distribution, structure and properties by composition in high-entropy alloys

(2019) Qingqing Ding et al.   NATURE

Local electronic descriptors for solute-defect interactions in bcc refractory metals

(2019) Yong-Jie Hu et al.   Nature Communications

Solute effects on the Σ3 111[11-0] tilt grain boundary in BCC Fe: Grain boundary segregation, stability, and embrittlement

(2019) Yong-Jie Hu et al.   COMPUTATIONAL MATERIALS SCIENCE

Atomic and electronic basis for solutes strengthened (010) anti-phase boundary of L1 2 Co 3 (Al, TM): A comprehensive first-principles study

(2018) William Yi Wang et al.   ACTA MATERIALIA

Revealing the local lattice strains and strengthening mechanisms of Ti alloys

(2018) Chengxiong Zou et al.   COMPUTATIONAL MATERIALS SCIENCE

Elastic properties of long periodic stacking ordered phases in Mg-Gd-Al alloys: A first-principles study

(2018) Hongyeun Kim et al.   INTERMETALLICS

Insight into solid-solution strengthened bulk and stacking faults properties in Ti alloys: a comprehensive first-principles study

(2018) William Yi Wang et al.   JOURNAL OF MATERIALS SCIENCE

Searching for materials with reduced dimension

(2018) Olle Eriksson   Nature Nanotechnology

Toward New-Generation Intelligent Manufacturing

(2018) Ji Zhou et al.   Engineering

High-entropy functional materials

(2018) Michael C. Gao et al.   JOURNAL OF MATERIALS RESEARCH

Breakthrough applications of high-entropy materials

(2018) Jien-Wei Yeh et al.   JOURNAL OF MATERIALS RESEARCH

Data-centric science for materials innovation

(2018) Isao Tanaka et al.   MRS BULLETIN

Circumventing silver oxidation induced performance degradation of silver surface-enhanced Raman scattering substrates

(2018) Yanling Wang et al.   NANOTECHNOLOGY

When defects are not defects

(2018) Arkady V. Krasheninnikov   NATURE MATERIALS

Electrocarving during Electrodeposition Growth

(2018) Yanling Wang et al.   ADVANCED MATERIALS

Enhanced strength and ductility in a high-entropy alloy via ordered oxygen complexes

(2018) Zhifeng Lei et al.   NATURE

Machine learning in materials design and discovery: Examples from the present and suggestions for the future

(2018) J. E. Gubernatis et al.   PHYSICAL REVIEW MATERIALS

Integrated computational materials engineering for advanced materials: A brief review

(2018) William Yi Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Mesoscale design of heterogeneous material systems in multi-material additive manufacturing

(2017) David Garcia et al.   JOURNAL OF MATERIALS RESEARCH

Revealing the Microstates of Body-Centered-Cubic (BCC) Equiatomic High Entropy Alloys

(2017) William Yi Wang et al.   JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION

Effect of local stress on hydrogen segregation at grain boundaries in metals

(2017) Xiao Zhou et al.   MATERIALS LETTERS

Dual-phase nanostructuring as a route to high-strength magnesium alloys

(2017) Ge Wu et al.   NATURE

Ultrastrong steel via minimal lattice misfit and high-density nanoprecipitation

(2017) Suihe Jiang et al.   NATURE

Nobel Lecture: Topological defects and phase transitions

(2017) John Michael Kosterlitz   REVIEWS OF MODERN PHYSICS

Effect of cathodic hydrogen charging on the wear behavior of 5754 Al alloy

(2017) E.P. Georgiou et al.   WEAR

Universal fragment descriptors for predicting properties of inorganic crystals

(2017) Olexandr Isayev et al.   Nature Communications

Strengthening Mg by self-dispersed nano-lamellar faults

(2017) William Yi Wang et al.   Materials Research Letters

Atomic and electronic basis for the serrations of refractory high-entropy alloys

(2017) William Yi Wang et al.   npj Computational Materials

Intelligent Manufacturing in the Context of Industry 4.0: A Review

(2017) Ray Y. Zhong et al.   Engineering

From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium–transition metal alloys

(2016) Liang-Feng Huang et al.   ACTA MATERIALIA

MMOY: Towards deriving a metallic materials ontology from Yago

(2016) Xiaoming Zhang et al.   ADVANCED ENGINEERING INFORMATICS

Effect of β-stabilizer elements on stacking faults energies and ductility of α-titanium using first-principles calculations

(2016) R. Salloom et al.   JOURNAL OF APPLIED PHYSICS

Data-driven understanding of collective carbon nanotube growth by in situ characterization and nanoscale metrology

(2016) Mostafa Bedewy   JOURNAL OF MATERIALS RESEARCH

Elemental partitioning, lattice misfit and creep behaviour of Cr containingγ′ strengthened Co base superalloys

(2016) I. Povstugar et al.   MATERIALS SCIENCE AND TECHNOLOGY

Alloy design for aircraft engines

(2016) Tresa M. Pollock   NATURE MATERIALS

Chemomechanical Origin of Hydrogen Trapping at Grain Boundaries in fcc Metals

(2016) Xiao Zhou et al.   PHYSICAL REVIEW LETTERS

Power law scaled hardness of Mn strengthened nanocrystalline Al Mn non-equilibrium solid solutions

(2016) William Yi Wang et al.   SCRIPTA MATERIALIA

Solute partitioning in multi-component γ/γ′ Co–Ni-base superalloys with near-zero lattice misfit

(2016) S. Meher et al.   SCRIPTA MATERIALIA

Hydrogenated vacancies lock dislocations in aluminium

(2016) Degang Xie et al.   Nature Communications

Cybermaterials: materials by design and accelerated insertion of materials

(2016) Wei Xiong et al.   npj Computational Materials

Anomalous phonon stiffening associated with the (1 1 1) antiphase boundary in L1 2 Ni 3 Al

(2015) Venkateswara Rao Manga et al.   ACTA MATERIALIA

Anomalous structural dynamics in liquid Al 80 Cu 20 : An ab initio molecular dynamics study

(2015) W.Y. Wang et al.   ACTA MATERIALIA

High resolution energy dispersive spectroscopy mapping of planar defects in L1 2 -containing Co-base superalloys

(2015) Michael S. Titus et al.   ACTA MATERIALIA

Solid-Solution Hardening in Mg-Gd-TM (TM = Ag, Zn, and Zr) Alloys: An Integrated Density Functional Theory and Electron Work Function Study

(2015) William Yi Wang et al.   JOM

Bonding charge density from atomic perturbations

(2015) Yi Wang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Lattice distortion induced anomalous ferromagnetism and electronic structure in FCC Fe and Fe-TM (TM = Cr, Ni, Ta and Zr) alloys

(2015) William Yi Wang et al.   MATERIALS CHEMISTRY AND PHYSICS

Tuning order in disorder

(2015) Evan Ma   NATURE MATERIALS

Hidden topological order and its correlation with glass-forming ability in metallic glasses

(2015) Z. W. Wu et al.   Nature Communications

Accelerated exploration of multi-principal element alloys with solid solution phases

(2015) O.N. Senkov et al.   Nature Communications

Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: a comprehensive first-principles study

(2015) ShunLi Shang et al.   Journal of Materials Chemistry A

The importance of sign and magnitude of γ/γ′ lattice misfit in superalloys—with special reference to the new γ′-hardened cobalt-base superalloys

(2014) Haël Mughrabi   ACTA MATERIALIA

Electronic and thermodynamic criteria for the occurrence of high entropy alloys in metallic systems

(2014) M.G. Poletti et al.   ACTA MATERIALIA

Generalized stacking fault energy, ideal strength and twinnability of dilute Mg-based alloys: A first-principles study of shear deformation

(2014) S.L. Shang et al.   ACTA MATERIALIA

Phase-field method and Materials Genome Initiative (MGI)

(2014) Long-Qing Chen   CHINESE SCIENCE BULLETIN

Mechanical properties and lattice misfit of γ/γ′ strengthened Co-base superalloys in the Co–W–Al–Ti quaternary system

(2014) C.H. Zenk et al.   INTERMETALLICS

Perspectives on Titanium Science and Technology

(2013) Dipankar Banerjee et al.   ACTA MATERIALIA

Searching for Next Single-Phase High-Entropy Alloy Compositions

(2013) Michael Gao et al.   Entropy

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

(2013) James E. Saal et al.   JOM

Electronic structures of long periodic stacking order structures in Mg: A first-principles study

(2013) William Yi Wang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Shear bands in metallic glasses

(2013) A.L. Greer et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

Four decades of materials developments transform society

(2013) Philip Ball   MRS BULLETIN

Reducing deformation anisotropy to achieve ultrahigh strength and ductility in Mg at the nanoscale

(2013) Q. Yu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Microstructures and properties of high-entropy alloys

(2013) Yong Zhang et al.   PROGRESS IN MATERIALS SCIENCE

Periodic Segregation of Solute Atoms in Fully Coherent Twin Boundaries

(2013) J. F. Nie et al.   SCIENCE

Materials genomics: From CALPHAD to flight

(2013) G.B. Olson et al.   SCRIPTA MATERIALIA

Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study

(2013) William Yi Wang et al.   Materials Research Letters

Ultrastrong Mg Alloy via Nano-spaced Stacking Faults

(2013) W. W. Jian et al.   Materials Research Letters

Basal-plane stacking fault energy of hexagonal close-packed metals based on the Ising model

(2012) Qing-Miao Hu et al.   ACTA MATERIALIA

Fabrication and Characterization of Beaded SiC Quantum Rings with Anomalous Red Spectral Shift

(2012) Shikuan Yang et al.   ADVANCED MATERIALS

Electron localization morphology of the stacking faults in Mg: A first-principles study

(2012) W.Y. Wang et al.   CHEMICAL PHYSICS LETTERS

A hybrid computational–experimental approach for automated crystal structure solution

(2012) Bryce Meredig et al.   NATURE MATERIALS

Atomic mechanism and prediction of hydrogen embrittlement in iron

(2012) Jun Song et al.   NATURE MATERIALS

The correlation between the electron work function and yield strength of metals

(2012) Guomin Hua et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

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

Solute partitioning and site preference in γ/γ′ cobalt-base alloys

(2012) S. Meher et al.   SCRIPTA MATERIALIA

CALPHAD, first and second generation – Birth of the materials genome

(2012) Larry Kaufman et al.   SCRIPTA MATERIALIA

Supertoughening in B1 transition metal nitride alloys by increased valence electron concentration

(2011) D.G. Sangiovanni et al.   ACTA MATERIALIA

Generic relation between the electron work function and Young's modulus of metals

(2011) Guomin Hua et al.   APPLIED PHYSICS LETTERS

Atoms to autos: A multi-scale approach to modeling aluminum deformation

(2011) P. E. Krajewski et al.   JOM

First-principle calculation of stacking fault energies in Ni and Ni-Co alloy

(2011) Mahesh Chandran et al.   JOURNAL OF APPLIED PHYSICS

Towards an integrated materials characterization toolbox

(2011) Ian M. Robertson et al.   JOURNAL OF MATERIALS RESEARCH

A simple analytic theory for the statistics of avalanches in sheared granular materials

(2011) Karin A. Dahmen et al.   Nature Physics

The Bonding Electron Density in Aluminum

(2011) P. N. H. Nakashima et al.   SCIENCE

Effects of microstructure on hydrogen-induced cracking in aluminum alloys

(2011) N. Ben Ali et al.   SCRIPTA MATERIALIA

The Future of Metals

(2010) K. Lu   SCIENCE

A materials research paradigm driven by computation

(2009) Zi-Kui Liu   JOM

First-Principles Theory of Hydrogen Diffusion in Aluminum

(2008) Hakan Gunaydin et al.   PHYSICAL REVIEW LETTERS