Multiscale Modeling of Materials LabSan Diego State University

Publications

All papers, sortable by theme.

A fuller publication list with 57 entries from the M3 Lab and collaborators.

2026

Interfacial relay trapping of hydrogen in metastable austenitic steel: A molecular dynamics study

W. Xu and M. Koyama. Materials Today Communications, Volume 53, Article 115329.

MDHydrogen EmbrittlementDefects
2026

Localized Grain Boundary Engineering via Thermal-Elastic Processing (TEP)

W. Xu, M. Alfaro, R. Jiang, S. Sotero, J. Burns, A. Contreras, C. Delaney, C. Foronda, and M. Pavao. TMS 2026 155th Annual Meeting and Exhibition Supplemental Proceedings, 763-774.

TEPGrain BoundariesFEA
2026

Localized plasticity, transformation, and martensite cracking in hydrogen-charged metastable austenitic stainless steel studied by in situ electron channeling contrast imaging

M. Koyama, Z. Yang, W. Xu, and E. Akiyama. Materials Characterization, Volume 233, Article 116127.

Hydrogen EmbrittlementMicroscopyMetals
2026

Electric Nanosecond Pulsing Assisted Sintering as a Transformative Paradigm for Non-Equilibrium Processing of Powder Materials

R. Jiang, E. Torresani, W. Xu, A. Maximenko, and E. A. Olevsky. ENGINEERING Transformative Materials.

ENPFlash SinteringMaterials Processing
2025

Electric current-induced quasi-instantaneous precipitation behavior in nanoseconds

R. Jiang, W. Xu, E. Torresani, and E. A. Olevsky. Materials and Design, Volume 257.

ENPMicrostructureMetals
2025

High dislocation density formation in metallic materials by ultra-intense nanopulsing electric current

W. Xu, R. Jiang, M. Xu, C. Delaney, Y. Yang, E. Torresani, M. Shaikh, Y. Yan, and E. A. Olevsky. Journal of Alloys and Compounds, Volume 1025.

ENPDefect EngineeringMetals
2025

Machine learning-enabled multiscale modeling of mechanical deformation of aluminum and Al-SiC nanocomposites

M. S. Hasan, H. Bayat, W. de Jong, and W. Xu. Materials and Design.

AI/MLMDNanocomposites
2024

Quasi-instantaneous materials processing technology via high-intensity electrical nano pulsing

E. A. Olevsky, W. Xu, E. Torresani, and collaborators. Scientific Reports.

ENPMaterials Processing
2024

An atomistic study on the HELP mechanism of hydrogen embrittlement in pure metal Fe

M. S. Hasan, W. Xu, and collaborators. International Journal of Hydrogen Energy, Volume 57.

MDMetalsDefects
2024

Editorial: Modeling and experimentation of imperfections in materials

W. Xu and J. M. Goff. Frontiers in Materials.

ModelingCharacterization
2024

An Atomistic Modeling Study of Electric Field Effect on Sintering Mechanisms of Zirconia

K. Polifrone, C. Delaney, M. S. Hasan, H. Bayat, C. Foronda, E. Olevsky, and W. Xu. TMS Annual Meeting and Exhibition.

Flash SinteringMDCeramics
2024

Hydrogen-Induced Transformation of Dislocation Core in Fe and Its Effect on Dislocation Mobility

M. S. Hasan, H. Bayat, C. Delaney, C. Foronda, and W. Xu. TMS Annual Meeting and Exhibition.

MDDefectsMetals
2023

Localized engineering of grain boundary morphology by electro-nano-pulsing processing

W. Xu, R. Jiang, M. Xu, and E. A. Olevsky. Materials Today Advances, Volume 20.

ENPGrain BoundariesMicrostructure
2023

Growing recyclable and healable piezoelectric composites in 3D printed bioinspired structure for protective wearable sensor

Q. He, Y. Zeng, L. Jiang, W. Xu, E. Olevsky, Y. Yang, and collaborators. Nature Communications.

CharacterizationCompositesFEA
2023

Machine Learned Interatomic Potentials for Grain Boundary Segregation in Alloys

K. Polifrone, H. Bayat, J. M. Goff, and W. Xu. Sandia National Laboratories Technical Report SAND2023-13916R.

AI/MLGrain BoundariesAlloys
2022

An atomistic study of deformation mechanisms in metal matrix nanocomposite materials

M. S. Hasan, W. Xu, and collaborators. Materials Today Communications, Volume 33.

MDNanocompositesMetals
2022

3D printing of nacre-inspired structures with exceptional mechanical and flame-retardant properties

Y. Yang, Z. Wang, Q. He, X. Li, G. Lu, L. Jiang, Y. Zeng, B. Bethers, J. Jin, S. Lin, W. Xu, and collaborators. Research.

CompositesFEACharacterization
2021

Effect of external electric field on diffusivity and flash sintering of 8YSZ: A molecular dynamics study

W. Xu, E. A. Olevsky, and collaborators. Acta Materialia, Volume 206.

Flash SinteringMDCeramics
2020

Deformation nanomechanics and dislocation quantification at the atomic scale in nanocrystalline magnesium

M. S. Hasan, R. Lee, and W. Xu. Journal of Magnesium and Alloys, Volume 8, Issue 4.

NanomechanicsMDMetals
2020

Distinguishing contributions of ceramic matrix and binder metal to the plasticity of nanocrystalline cermets

X. Ge, W. Xu, X. Song, and collaborators. IUCrJ, Volume 7, Part 1.

CermetsNanocrystalline MaterialsPlasticity
2019

A bimodal microstructure for fatigue resistant metals by molecular dynamics simulations

W. Xu, M. S. Hasan, and collaborators. Computational Materials Science, Volume 160.

MDMicrostructureMetals
2019

Advanced metal matrix nanocomposites

M. Malaki, W. Xu, A. K. Kasar, P. L. Menezes, H. Dieringa, R. S. Varma, and M. Gupta. Metals, Volume 9, Issue 3.

NanocompositesMetals
2019

Effects of crystal orientation and diameter on the mechanical properties of single-crystal MgAl2O4 spinel nanowires

W. Xu and L. P. Davila. Nanotechnology, Volume 30, Issue 5.

NanomechanicsMDCeramics
2018

Classical and quantum calculations of the temperature dependence of the free energy of argon

W. Xu, P. D. Lee, and collaborators. Computational Materials Science, Volume 144.

DFTMDThermodynamics
2018

Tensile nanomechanics and the Hall-Petch effect in nanocrystalline aluminium

W. Xu and L. P. Davila. Materials Science and Engineering A, Volume 710.

NanomechanicsMDMetals
2017

Size dependence of elastic mechanical properties of nanocrystalline aluminum

W. Xu and L. P. Davila. Materials Science and Engineering A, Volume 692.

NanomechanicsMDMetals
2016

Synchrotron quantification of ultrasound cavitation and bubble dynamics in Al-10Cu melts

W. Xu, P. D. Lee, and collaborators. Ultrasonics Sonochemistry, Volume 31.

CharacterizationSynchrotronMetals
2016

Which wets TiB2 inoculant particles: Al or Al3Ti?

D. Wearing, W. Xu, P. D. Lee, and collaborators. Journal of Alloys and Compounds, Volume 664.

DFTInterfacesMetals
2016

Diversification of MgO//Mg interfacial crystal orientations during oxidation: A density functional theory study

W. Xu, P. D. Lee, and collaborators. Journal of Alloys and Compounds, Volume 688.

DFTInterfacesMagnesium
2016

Synchrotron radiographic studies of ultrasonic melt processing of metal matrix nano composites

W. U. Mirihanage, W. Xu, J. Tamayo-Ariztondo, D. G. Eskin, M. Garcia-Fernandez, P. D. Lee, and collaborators. Materials Letters, Volume 164.

CharacterizationSynchrotronNanocomposites
2015

First-principles calculation of Mg/MgO interfacial free energies

W. Xu, P. D. Lee, and collaborators. Journal of Alloys and Compounds, Volume 650.

DFTInterfacesThermodynamics
2015

In situ observation and analysis of ultrasonic capillary effect in molten aluminium

I. Tzanakis, W. Xu, N. E. Kotsovinos, and collaborators. Ultrasonics Sonochemistry, Volume 27.

CharacterizationSynchrotronMetals
2015

In situ synchrotron radiography and spectrum analysis of transient cavitation bubbles in molten aluminium alloy

I. Tzanakis, W. Xu, G. S. B. Lebon, D. G. Eskin, K. Pericleous, and P. D. Lee. Physics Procedia, Volume 70.

CharacterizationSynchrotronMetals
2015

In Situ Synchrotron Radiography of Ultrasound Cavitation in a Molten Al-10Cu Alloy

W. Xu, I. Tzanakis, P. Srirangam, S. Terzi, W. U. Mirihanage, D. G. Eskin, P. D. Lee, and collaborators. TMS Annual Meeting and Exhibition: Supplemental Proceedings.

CharacterizationSynchrotronMetals
2014

Nanoscale phase stability in Li ion battery anode materials

X. Song, Y. Zhou, J. He, W. Xu, H. Wang, and X. Liu. RSC Advances, Volume 4, Issue 103.

ThermodynamicsNanocrystalline MaterialsEnergy Materials
2013

Effect of interfacial characteristics on toughness of nanocrystalline cemented carbides

X. Song, W. Xu, and collaborators. Acta Materialia, Volume 61, Issue 6.

CermetsInterfacesNanocrystalline Materials
2013

Experimental and modeling studies on phase stability of nanocrystalline magnetic Sm2Co7

W. Xu, H. Liang, and collaborators. Materials Science and Engineering B, Volume 178, Issue 15.

Nanocrystalline MaterialsThermodynamicsMagnetic Materials
2013

A nanocrystalline Sm-Co compound for high-temperature permanent magnets

Z. Zhang, X. Song, Y. Qiao, W. Xu, J. Zhang, M. Seyring, and M. Rettenmayr. Nanoscale, Volume 5, Issue 6.

Nanocrystalline MaterialsMagnetic Materials
2013

Preparation and phase stability of nanocrystalline Li2C2 alloy

J. He, X. Song, W. Xu, Y. Zhou, M. Seyring, and M. Rettenmayr. Materials Letters, Volume 94.

Nanocrystalline MaterialsThermodynamics
2013

Excess volume in nanocrystalline lithium-carbon system

W. Xu, X. Song, M. Seyring, J. He, M. Drue, and M. Rettenmayr. Micro and Nano Letters, Volume 8, Issue 3.

Nanocrystalline MaterialsThermodynamics
2012

Phase constitution, evolution and correlation with magnetic performance in nominal SmCo9.8 alloy

Z. Zhang, W. Xu, N. Lu, and collaborators. Journal of Alloys and Compounds, Volume 539.

Nanocrystalline MaterialsThermodynamicsMagnetic Materials
2012

Multiphase equilibrium, phase stability and phase transformation in nanocrystalline alloy systems

W. Xu, X. Song, and Z. Zhang. Nano, Volume 7, Issue 2.

ThermodynamicsNanocrystalline Materials
2012

Nanoscale stabilization of metastable phase: Thermodynamic model and experimental studies

X. Song, W. Xu, and Z. Zhang. Acta Physica Sinica, Volume 61, Issue 20.

ThermodynamicsNanocrystalline Materials
2011

Phase evolution and its effects on the magnetic performance of nanocrystalline SmCo7 alloy

Z. Zhang, X. Song, and W. Xu. Acta Materialia, Volume 59, Issue 4.

Nanocrystalline MaterialsThermodynamicsMagnetic Materials
2011

Crystal structure and magnetic performance of nanocrystalline SmCo9.8 alloy

Z. Zhang, X. Song, W. Xu, D. Li, and X. Liu. Journal of Applied Physics, Volume 110, Issue 12.

Nanocrystalline MaterialsMagnetic Materials
2010

Crystal structure and magnetic performance of single-phase nanocrystalline SmCo7 alloy

Z. Zhang, X. Song, W. Xu, and collaborators. Scripta Materialia, Volume 62, Issue 8.

Nanocrystalline MaterialsMagnetic Materials
2010

Thermodynamic and experimental study on phase stability in nanocrystalline alloys

W. Xu, X. Song, N. Lu, and C. Huang. Acta Materialia, Volume 58, Issue 2.

ThermodynamicsNanocrystalline Materials
2010

Thermodynamic study on metastable phase: from polycrystalline to nanocrystalline system

W. Xu, X. Song, and Z. Zhang. Applied Physics Letters, Volume 97, Issue 18.

ThermodynamicsNanocrystalline Materials
2010

Thermodynamic Stability and Grain Growth Behavior of Nanocrystalline Metal

J. Wei, X. Song, Q. Han, W. Xu, and L. Li. Rare Metal Materials and Engineering, Volume 39, Issue 4.

ThermodynamicsNanocrystalline MaterialsMetals
2010

Hybrid Thermodynamic/Cellular Automaton Modeling for Temperature-Varying Grain Growth of Nanocrystalline Metals

J. Wei, X. Song, C. Huang, W. Xu, and Q. Han. Journal of Computational and Theoretical Nanoscience, Volume 7, Issue 1.

ThermodynamicsNanocrystalline MaterialsMetals
2009

Nanoscale thermodynamic study on phase transformation in the nanocrystalline Sm2Co17 alloy

W. Xu, X. Song, N. Lu, M. Seyring, and M. Rettenmayr. Nanoscale, Volume 1.

ThermodynamicsNanocrystalline MaterialsMagnetic Materials
2009

Abnormal crystal structure stability of nanocrystalline Sm2Co17 permanent magnet

X. Song, N. Lu, M. Seyring, M. Rettenmayr, W. Xu, Z. Zhang, and J. Zhang. Applied Physics Letters, Volume 94, Issue 2.

Nanocrystalline MaterialsMagnetic MaterialsThermodynamics
2009

Thermodynamic study on phase stability in nanocrystalline Sm-Co alloy system

W. Xu, X. Song, E. Li, J. Wei, and J. Zhang. Journal of Applied Physics, Volume 105, Issue 10.

ThermodynamicsNanocrystalline MaterialsMagnetic Materials
2009

Phase transformation in nanocrystalline Sm2Co17 permanent magnet material

X. Song, N. Lu, W. Xu, Z. Zhang, and J. Zhang. Applied Crystallography, Volume 42, Issue 4.

Nanocrystalline MaterialsMagnetic MaterialsThermodynamics
2009

Phase configuration and stability in the nanocrystalline Sm-Co system

W. Xu, X. Song, E. Li, J. Wei, and L. Li. Acta Physica Sinica, Volume 58, Issue 5.

ThermodynamicsNanocrystalline MaterialsMagnetic Materials
2009

(Ti,Me)C-Fe cermet interface electronic structure and properties

Y. Wu, F. Long, Y. Sheng, W. Xu, and Z. Zou. Rare Metal Materials and Engineering.

CermetsInterfacesElectronic Structure
2008

Effects of Mo (Ni) on valence electron structures of TiC/Fe cermets

Z. Zou, Y. Wu, F. Long, W. Xu, and D. Yao. Key Engineering Materials, Volume 368.

CermetsInterfacesElectronic Structure