publication venue for
- Lamellar decomposition far from thermodynamic equilibrium. 233:112759-112759. 2024
- Computational framework for polymer synthesis to study dielectric properties using polarizable reactive molecular dynamics. 228:112340-112340. 2023
- Effect of periodic image interactions on kink pair activation of screw dislocation. 228:112369-112369. 2023
- Batch active learning for accelerating the development of interatomic potentials. 208:111330-111330. 2022
- Accelerated materials design using batch Bayesian optimization: A case study for solving the inverse problem from materials microstructure to process. 210:111417-111417. 2022
- Hybrid microstructure-defect printability map in laser powder bed fusion additive manufacturing. 209:111401-111401. 2022
- A method to apply Piola-Kirchhoff stress in molecular statics simulation. 195:110496-110496. 2021
- Utilizing Gaussian processes to fit high dimension thermodynamic data that includes estimated variability. 188:110133-110133. 2021
- Computing critical energy release rates for fracture in atomistic simulations. 181:109738-109738. 2020
- Investigation of the discontinuous precipitation of U-Nb alloys via thermodynamic analysis and phase-field modeling. 175:109573-109573. 2020
- Bayesian probabilistic prediction of precipitation behavior in Ni-Ti shape memory alloys. 172:109334-109334. 2020
- Application of materials informatics to vapor-grown carbon nanofiber/vinyl ester nanocomposites through self-organizing maps and clustering techniques. 158:98-109. 2019
- Designing nanoindentation simulation studies by appropriate indenter choices: Case study on single crystal tungsten. 152:196-210. 2018
- AIDA: A tool for exhaustive enumeration of solutions to the quantized Frank-Bilby equation. 145:35-47. 2018
- The effect of layer thickness ratio on the plastic deformation mechanisms of nanoindented Ti/TiN nanolayered composite. 154:488-498. 2018
- Quantifying elastic energy effects on interfacial energy in the Kim-Kim-Suzuki phase-field model with different interpolation schemes. 140:10-21. 2017
- AQUAMI: An open source Python package and GUI for the automatic quantitative analysis of morphologically complex multiphase materials. 139:320-329. 2017
- Particle-grain boundary interactions: A phase field study. 134:25-37. 2017
- Optimal experimental design for materials discovery. 129:311-322. 2017
- Point defects and Zn-doping in defective Laves phase C15 MgCu2: A first-principles study. 122:159-166. 2016
- Determining coherent reference states of general semicoherent interfaces. 118:297-308. 2016
- Multiscale modeling of the effect of waviness and agglomeration of CNTs on the elastic properties of nanocomposites. 117:195-204. 2016
- Diffusion properties of Fe-C systems studied by using kinetic activation-relaxation technique. 112:96-106. 2016
- Ab-initio investigation of the finite-temperatures structural, elastic, and thermodynamic properties of Ti3AlC2 and Ti3SiC2. 124:420-427. 2016
- Computationally implemented modeling of creep of composite materials caused by phase dissolution. 125:61-71. 2016
- Effect of ternary additions to structural properties of NiTi alloys. 112:347-355. 2016
- Temperature dependence of elastic properties of L12-Al3Sc: A first-principles study. 111:424-429. 2016
- Effect of twin boundaries and structural polytypes on electron transport in GaAs. 108:258-263. 2015
- Effects of single- and co-substitution of Ti on dehydrogenation of Mg2NiH4: A first-principles study. 103:45-51. 2015
- Comprehensive mechanical property classification of vapor-grown carbon nanofiber/vinyl ester nanocomposites using support vector machines. 99:316-325. 2015
- Investigation of interfaces in Mg/Nb multilayer thin films. 108:212-225. 2015
- Thermo-mechanical properties of a piezoelectric polyimide carbon nanotube composite: Assessment of composite theories. 92:185-191. 2014
- Effect of interface dislocation Burgers vectors on elastic fields in anisotropic bicrystals. 88:110-115. 2014
- Atomistic investigation on the structure-property relationship during thermal spray nanoparticle impact. 84:163-174. 2014
- Average electro-mechanical properties and responses of active composites. 82:405-414. 2014
- Molecular dynamics simulations for thermal transport behavior of InAs nanotubes: A role of symmetry. 70:8-12. 2013
- Modeling time-dependent and inelastic response of fiber reinforced polymer composites. 70:37-50. 2013
- On the limitations of the DFT plus U approach to energetics of actinides. 59:48-56. 2012
- Computational investigation of intermetallic compounds (Cu6Sn5 and Cu3Sn) growth during solid-state aging process. 50:1692-1700. 2011
- DFT studies of sulfur induced stress corrosion cracking in nickel. 44:1236-1242. 2009
- Investigation of the flow behaviors of carbon nanotubes dispersed epoxy resin with modified bi-mode FENE dumbbell simulation. 44:1379-1385. 2009
- Graphitization as a precursor to wear of diamond in machining pure iron: A molecular dynamics investigation. 45:358-366. 2009
- A time-integration algorithm for thermo-rheologically complex polymers. 41:576-588. 2008
- A time-integration algorithm for thermo-rheologically complex polymers. 41:576-588. 2008
- Computations of permeability tensor coefficients and anisotropy of asphalt concrete based on microstructure simulation of fluid flow. 40:449-459. 2007
- Coarse-graining approximation for simulating surface reaction kinetics in particulate systems. 38:369-373. 2006
- Computations of particle surface characteristics using optical and X-ray CT images. 34:406-424. 2005
- Thermodynamical and mechanical properties of PdAg alloys. 32:107-117. 2005
- Theoretical studies on VPI-5. 3. The MS-Q force field for aluminophosphate zeolites. 14:135-137. 1999
- A lattice model for solid-state sintering: Simple particle arrays - Comment. 6:350-352. 1996
- NUMERICAL-METHODS FOR COMPUTING INTERFACIAL MEAN-CURVATURE. 4:103-116. 1995
- Alloying Mg with Gd and Y: Increasing both plasticity and strength. 115:85-91.
- First-principles calculations of finite-temperature elastic properties of Ti2AlX (X = C or N). 79:296-302.
- The synergistic effects of energy barriers and shear directions on twinning in face centered cubic metals. 177:109547-109547.