Alejandro H. Strachan - Publications

Affiliations: 
Materials Engineering Purdue University, West Lafayette, IN, United States 
Area:
Materials Science Engineering

155 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Hamilton BW, Kroonblawd MP, Li C, Strachan A. A Hotspot's Better Half: Non-Equilibrium Intra-Molecular Strain in Shock Physics. The Journal of Physical Chemistry Letters. 2756-2762. PMID 33705143 DOI: 10.1021/acs.jpclett.1c00233  0.544
2020 Shen T, Li C, Strachan A. Novel Mode of Noncrystallographic Branching in the Initial Stages of Polymer Fibril Growth. Physical Review Letters. 125: 247801. PMID 33412039 DOI: 10.1103/PhysRevLett.125.247801  0.482
2020 Saltonstall CB, McClure ZD, Abere MJ, Guzman D, Reeve ST, Strachan A, Kotula PG, Adams DP, Beechem TE. Complexion dictated thermal resistance with interface density in reactive metal multilayers Physical Review B. 101: 245422. DOI: 10.1103/Physrevb.101.245422  0.557
2020 Giessen Evd, Schultz PA, Bertin N, Bulatov VV, Cai W, Csanyi G, Foiles SM, Geers MGD, Gonzalez C, Hütter M, Kim WK, Kochmann DM, LLorca J, Mattsson AE, Rottler J, ... ... Strachan A, et al. Roadmap on multiscale materials modeling Modelling and Simulation in Materials Science and Engineering. 28: 43001. DOI: 10.1088/1361-651X/Ab7150  0.33
2020 Anstine DM, Strachan A, Colina CM. Effects of an atomistic modeling approach on predicted mechanical properties of glassy polymers via molecular dynamics Modelling and Simulation in Materials Science and Engineering. 28: 025006. DOI: 10.1088/1361-651X/Ab615C  0.327
2020 Islam M, Strachan A. Role of dynamical compressive and shear loading on hotspot criticality in RDX via reactive molecular dynamics Journal of Applied Physics. 128: 65101. DOI: 10.1063/5.0014461  0.399
2020 Lo C, Helfrecht BA, He Y, Guzman DM, Onofrio N, Zhang S, Weinstein D, Strachan A, Chen Z. Opportunities and challenges of 2D materials in back-end-of-line interconnect scaling Journal of Applied Physics. 128: 80903. DOI: 10.1063/5.0013737  0.777
2020 Li C, Hamilton BW, Strachan A. Hotspot formation due to shock-induced pore collapse in 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (HMX): Role of pore shape and shock strength in collapse mechanism and temperature Journal of Applied Physics. 127: 175902. DOI: 10.1063/5.0005872  0.56
2020 Desai S, Reeve ST, Vishnu KG, Strachan A. Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering Journal of Applied Physics. 127: 125112. DOI: 10.1063/1.5145008  0.337
2020 Reeve ST, Vishnu KG, Strachan A. Uncharacteristic second order martensitic transformation in metals via epitaxial stress fields Journal of Applied Physics. 127: 45107. DOI: 10.1063/1.5128532  0.334
2020 Dorso CO, Strachan A, Frank GA. The nucleonic thermal conductivity of “pastas” in neutron star matter Nuclear Physics. 1002: 122004. DOI: 10.1016/J.Nuclphysa.2020.122004  0.307
2020 Tripathi S, Vishnu KG, Titus MS, Strachan A. Tunability of martensitic transformation in Mg-Sc shape memory alloys: A DFT study Acta Materialia. 189: 1-9. DOI: 10.1016/J.Actamat.2020.02.022  0.334
2019 Guda Vishnu K, Strachan A. Investigation of structural ordering in network forming ionic liquids: A molecular dynamics study. The Journal of Chemical Physics. 150: 144904. PMID 30981240 DOI: 10.1063/1.5082186  0.792
2019 Reeve ST, Guzman DM, Alzate-Vargas L, Haley B, Liao P, Strachan A. Online simulation powered learning modules for materials science Mrs Advances. 4: 2727-2742. DOI: 10.1557/Adv.2019.287  0.724
2019 Helfrecht BA, Guzman DM, Onofrio N, Strachan AH. Erratum: Interactions between copper and transition metal dichalcogenides: A density functional theory study [Phys. Rev. Materials 1 , 034001 (2017)] Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.109903  0.783
2019 Zeng Y, Alzate-Vargas L, Li C, Graves R, Brum J, Strachan A, Koslowski M. Mechanically induced amorphization of small molecule organic crystals Modelling and Simulation in Materials Science and Engineering. 27: 074005. DOI: 10.1088/1361-651X/Ab234A  0.497
2019 Reeve ST, Strachan A. Functional uncertainty quantification for isobaric molecular dynamics simulations and defect formation energies Modelling and Simulation in Materials Science and Engineering. 27: 44002. DOI: 10.1088/1361-651X/Ab16Fa  0.355
2019 Kumar A, Strachan A, Onofrio N. Prediction of low energy phase transition in metal doped MoTe 2 from first principle calculations Journal of Applied Physics. 125: 204303. DOI: 10.1063/1.5064394  0.749
2019 Witkoske E, Guzman D, Feng Y, Strachan A, Lundstrom M, Lu N. The use of strain to tailor electronic thermoelectric transport properties: A first principles study of 2H-phase CuAlO2 Journal of Applied Physics. 125: 82531. DOI: 10.1063/1.5058275  0.56
2019 Hamilton BW, Kroonblawd MP, Islam M, Strachan A. Sensitivity of the Shock Initiation Threshold of 1,3,5-Triamino-2,4,6-trinitrobenzene(TATB) to Nuclear Quantum Effects Journal of Physical Chemistry C. 123: 21969-21981. DOI: 10.1021/Acs.Jpcc.9B05409  0.361
2019 Islam M, Strachan A. Reactive Molecular Dynamics Simulations to Investigate the Shock Response of Liquid Nitromethane Journal of Physical Chemistry C. 123: 2613-2626. DOI: 10.1021/Acs.Jpcc.8B11324  0.34
2019 Li C, Strachan A. Prediction of PEKK properties related to crystallization by molecular dynamics simulations with a united-atom model Polymer. 174: 25-32. DOI: 10.1016/J.Polymer.2019.04.053  0.589
2018 Xu K, Islam MM, Guzman DM, Seaubaugh A, Strachan A, Fullerton-Shirey SK. Pulse Dynamics of Electric Double Layer Formation on All-Solid-State Graphene Field-Effect Transistors. Acs Applied Materials & Interfaces. PMID 30422628 DOI: 10.1021/Acsami.8B13649  0.567
2018 McClure ZD, Reeve ST, Strachan A. Role of electronic thermal transport in amorphous metal recrystallization: A molecular dynamics study. The Journal of Chemical Physics. 149: 064502. PMID 30111141 DOI: 10.1063/1.5040232  0.781
2018 Alzate-Vargas L, Fortunato ME, Haley B, Li C, Colina CM, Strachan A. Uncertainties in the predictions of thermo-physical properties of thermoplastic polymers via molecular dynamics Modelling and Simulation in Materials Science and Engineering. 26: 065007. DOI: 10.1088/1361-651X/Aace68  0.721
2018 Sakano M, Hamilton B, Islam M, Strachan A. Role of Molecular Disorder on the Reactivity of RDX Journal of Physical Chemistry C. 122: 27032-27043. DOI: 10.1021/Acs.Jpcc.8B06509  0.38
2018 Shen T, Li C, Haley B, Desai S, Strachan A. Crystalline and pseudo-crystalline phases of polyacrylonitrile from molecular dynamics: Implications for carbon fiber precursors Polymer. 155: 13-26. DOI: 10.1016/J.Polymer.2018.09.026  0.722
2018 Li C, Strachan A. Coarse-grained molecular dynamics modeling of reaction-induced phase separation Polymer. 149: 30-38. DOI: 10.1016/J.Polymer.2018.06.064  0.562
2018 Li C, Strachan A. Cohesive energy density and solubility parameter evolution during the curing of thermoset Polymer. 135: 162-170. DOI: 10.1016/J.Polymer.2017.12.002  0.54
2018 Reeve ST, Vishnu KG, Belessiotis-Richards A, Strachan A. Tunability of martensitic behavior through coherent nanoprecipitates and other nanostructures Acta Materialia. 154: 295-302. DOI: 10.1016/J.Actamat.2018.05.017  0.363
2017 Desai S, Li C, Shen T, Strachan A. Molecular modeling of the microstructure evolution during carbon fiber processing. The Journal of Chemical Physics. 147: 224705. PMID 29246038 DOI: 10.1063/1.5000911  0.532
2017 Reeve ST, Belessiotis-Richards A, Strachan A. Harnessing mechanical instabilities at the nanoscale to achieve ultra-low stiffness metals. Nature Communications. 8: 1137. PMID 29074955 DOI: 10.1038/S41467-017-01260-6  0.784
2017 Guzman DM, Strachan A. Structural and electronic properties of copper-doped chalcogenide glasses Physical Review Materials. 1: 55801. DOI: 10.1103/Physrevmaterials.1.055801  0.55
2017 Helfrecht BA, Guzman DM, Onofrio N, Strachan AH. Interactions between copper and transition metal dichalcogenides: A density functional theory study Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.034001  0.776
2017 Onofrio N, Guzman D, Strachan A. Novel doping alternatives for single-layer transition metal dichalcogenides Journal of Applied Physics. 122: 185102. DOI: 10.1063/1.4994997  0.796
2017 Banlusan K, Strachan A. First-principles study of elastic mechanical responses to applied deformation of metal-organic frameworks Journal of Chemical Physics. 146: 184705. DOI: 10.1063/1.4982356  0.779
2017 Guzman DM, Onofrio N, Strachan A. First principles investigation of copper and silver intercalated molybdenum disulfide Journal of Applied Physics. 121: 055703. DOI: 10.1063/1.4975035  0.779
2017 Islam M, Strachan A. Decomposition and Reaction of Polyvinyl Nitrate under Shock and Thermal Loading: A ReaxFF Reactive Molecular Dynamics Study Journal of Physical Chemistry C. 121: 22452-22464. DOI: 10.1021/Acs.Jpcc.7B06154  0.371
2017 Reeve ST, Strachan A. Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification Journal of Computational Physics. 334: 207-220. DOI: 10.1016/J.Jcp.2016.12.039  0.36
2017 Ambrogio S, Magyari-Köpe B, Onofrio N, Mahbubul Islam M, Duncan D, Nishi Y, Strachan A. Modeling resistive switching materials and devices across scales Journal of Electroceramics. 39: 39-60. DOI: 10.1007/S10832-017-0093-Y  0.761
2017 Sharp N, Li C, Strachan A, Adams D, Pipes RB. Effects of water on epoxy cure kinetics and glass transition temperature utilizing molecular dynamics simulations Journal of Polymer Science Part B. 55: 1150-1159. DOI: 10.1002/Polb.24357  0.521
2016 Onofrio N, Guzman D, Strachan A. The dynamics of copper intercalated molybdenum ditelluride. The Journal of Chemical Physics. 145: 194702. PMID 27875887 DOI: 10.1063/1.4967808  0.801
2016 Onofrio N, Guzman D, Strachan A. Atomistic simulations of electrochemical metallization cells: mechanisms of ultra-fast resistance switching in nanoscale devices. Nanoscale. PMID 27218609 DOI: 10.1039/C6Nr01335J  0.792
2016 Dunn J, Antillon E, Maassen J, Lundstrom M, Strachan A. Role of energy distribution in contacts on thermal transport in Si: A molecular dynamics study Journal of Applied Physics. 120: 225112. DOI: 10.1063/1.4971254  0.796
2016 Banlusan K, Strachan A. Shockwave Energy Dissipation in Metal–Organic Framework MOF-5 Journal of Physical Chemistry C. 120: 12463-12471. DOI: 10.1021/Acs.Jpcc.6B02283  0.778
2016 Manukyan KV, Shuck CE, Cherukara MJ, Rouvimov S, Kovalev DY, Strachan A, Mukasyan AS. Exothermic Self-Sustained Waves with Amorphous Nickel Journal of Physical Chemistry C. 120: 5827-5838. DOI: 10.1021/Acs.Jpcc.6B00752  0.691
2016 Cherukara MJ, Germann TC, Kober EM, Strachan A. Shock Loading of Granular Ni/Al Composites. Part 2: Shock-Induced Chemistry Journal of Physical Chemistry C. 120: 6804-6813. DOI: 10.1021/Acs.Jpcc.5B11528  0.696
2016 Wood MA, Strachan A. Nonequilibrium Reaction Kinetics in Molecular Solids Journal of Physical Chemistry C. 120: 542-552. DOI: 10.1021/Acs.Jpcc.5B09820  0.767
2016 Li C, Strachan A. Free volume evolution in the process of epoxy curing and its effect on mechanical properties Polymer. 97: 456-464. DOI: 10.1016/J.Polymer.2016.05.059  0.549
2015 Onofrio N, Strachan A. Voltage equilibration for reactive atomistic simulations of electrochemical processes. The Journal of Chemical Physics. 143: 054109. PMID 26254644 DOI: 10.1063/1.4927562  0.776
2015 Lin KH, Strachan A. Role of direct electron-phonon coupling across metal-semiconductor interfaces in thermal transport via molecular dynamics. The Journal of Chemical Physics. 143: 034703. PMID 26203038 DOI: 10.1063/1.4922893  0.615
2015 Onofrio N, Guzman D, Strachan A. Atomic origin of ultrafast resistance switching in nanoscale electrometallization cells. Nature Materials. 14: 440-6. PMID 25730392 DOI: 10.1038/Nmat4221  0.796
2015 Antillon E, Strachan A. Mesoscale simulations of shockwave energy dissipation via chemical reactions Journal of Chemical Physics. 142: 84108-84108. PMID 25725713 DOI: 10.1063/1.4908309  0.789
2015 Coughlan A, Johnson D, Diefes-Dux HA, Douglas KA, Erk K, Faltens TA, Strachan A. Enhanced learning of mechanical behavior of materials via combined experiments and nanoHUB simulations: Learning modules for sophomore MSE students Materials Research Society Symposium Proceedings. 1762: 38-43. DOI: 10.1557/Opl.2015.152  0.328
2015 Kim H, Strachan A. Mechanical response of nanocrystalline platinum via molecular dynamics: size effects in bulk versus thin-film samples Modelling and Simulation in Materials Science and Engineering. 23: 065012. DOI: 10.1088/0965-0393/23/6/065012  0.646
2015 Kim H, Strachan A. Effect of surface roughness and size of beam on squeeze-film damping—Molecular dynamics simulation study Journal of Applied Physics. 118: 204304. DOI: 10.1063/1.4936579  0.637
2015 Vedula RP, Mehrotra S, Kubis T, Povolotskyi M, Klimeck G, Strachan A. Publisher's Note: “Optimal Ge/SiGe nanofin geometries for hole mobility enhancement: Technology limit from atomic simulations” [J. Appl. Phys. 117, 174312 (2015)] Journal of Applied Physics. 118: 019901. DOI: 10.1063/1.4923312  0.769
2015 Guzman DM, Onofrio N, Strachan A. Stability and migration of small copper clusters in amorphous dielectrics Journal of Applied Physics. 117. DOI: 10.1063/1.4921059  0.785
2015 Vedula RP, Mehrotra S, Kubis T, Povolotskyi M, Klimeck G, Strachan A. Optimal Ge/SiGe nanofin geometries for hole mobility enhancement: Technology limit from atomic simulations Journal of Applied Physics. 117. DOI: 10.1063/1.4919091  0.793
2015 Banlusan K, Antillon E, Strachan A. Mechanisms of Plastic Deformation of Metal–Organic Framework-5 Journal of Physical Chemistry C. 119: 25845-25852. DOI: 10.1021/Acs.Jpcc.5B05446  0.772
2015 Wood MA, Cherukara MJ, Kober EM, Strachan A. Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale Journal of Physical Chemistry C. 119: 22008-22015. DOI: 10.1021/Acs.Jpcc.5B05362  0.8
2015 Li C, Strachan A. Evolution of network topology of bifunctional epoxy thermosets during cure and its relationship to thermo-mechanical properties: A molecular dynamics study Polymer. 75: 151-160. DOI: 10.1016/J.Polymer.2015.08.037  0.552
2015 Hunt M, Haley B, McLennan M, Koslowski M, Murthy J, Strachan A. PUQ: A code for non-intrusive uncertainty propagation in computer simulations Computer Physics Communications. 194: 97-107. DOI: 10.1016/J.Cpc.2015.04.011  0.623
2015 Anderson NL, Vedula RP, Strachan A. Model form uncertainty versus intrinsic atomic variability in amorphous silicon oxides and nitrides Computational Materials Science. 109: 124-128. DOI: 10.1016/J.Commatsci.2015.06.014  0.792
2015 Cherukara MJ, Weihs TP, Strachan A. Molecular dynamics simulations of the reaction mechanism in Ni/Al reactive intermetallics Acta Materialia. 96: 1-9. DOI: 10.1016/J.Actamat.2015.06.008  0.704
2015 Morrison KR, Cherukara MJ, Kim H, Strachan A. Role of grain size on the martensitic transformation and ultra-fast superelasticity in shape memory alloys Acta Materialia. 95: 37-43. DOI: 10.1016/J.Actamat.2015.05.015  0.771
2015 Li C, Strachan A. Molecular scale simulations on thermoset polymers: A review Journal of Polymer Science Part B. 53: 103-122. DOI: 10.1002/Polb.23489  0.557
2014 Li C, Koslowski M, Strachan A. Engineering curvature in graphene ribbons using ultrathin polymer films. Nano Letters. 14: 7085-9. PMID 25375290 DOI: 10.1021/Nl503527W  0.513
2014 Lin KH, Holian BL, Germann TC, Strachan A. Mesodynamics with implicit degrees of freedom. The Journal of Chemical Physics. 141: 064107. PMID 25134551 DOI: 10.1063/1.4891308  0.633
2014 Wood MA, van Duin AC, Strachan A. Coupled thermal and electromagnetic induced decomposition in the molecular explosive αHMX; a reactive molecular dynamics study. The Journal of Physical Chemistry. A. 118: 885-95. PMID 24400687 DOI: 10.1021/Jp406248M  0.798
2014 Avdoshenko SM, Strachan A. High-temperature emissivity of silica, zirconia and samaria from ab initio simulations: role of defects and disorder Modelling and Simulation in Materials Science and Engineering. 22: 75004. DOI: 10.1088/0965-0393/22/7/075004  0.369
2014 Antillon E, Banlusan K, Strachan A. Coarse grain model for coupled thermo-mechano-chemical processes and its application to pressure-induced endothermic chemical reactions Modelling and Simulation in Materials Science and Engineering. 22: 25027. DOI: 10.1088/0965-0393/22/2/025027  0.777
2014 Guzman DM, Strachan A. Role of strain on electronic and mechanical response of semiconducting transition-metal dichalcogenide monolayers: An ab-initio study Journal of Applied Physics. 115. DOI: 10.1063/1.4883995  0.559
2014 Cherukara MJ, Germann TC, Kober EM, Strachan A. Shock Loading of Granular Ni/Al Composites. Part 1. Mechanics of Loading Journal of Physical Chemistry C. 118: 26377-26386. DOI: 10.1021/Jp507795W  0.704
2014 Kravchenko OG, Li C, Strachan A, Kravchenko SG, Pipes RB. Prediction of the chemical and thermal shrinkage in a thermoset polymer Composites Part a: Applied Science and Manufacturing. 66: 35-43. DOI: 10.1016/J.Compositesa.2014.07.002  0.557
2014 Morrison KR, Cherukara MJ, Guda Vishnu K, Strachan A. Role of atomic variability and mechanical constraints on the martensitic phase transformation of a model disordered shape memory alloy via molecular dynamics Acta Materialia. 69: 30-36. DOI: 10.1016/J.Actamat.2014.02.001  0.781
2014 Li C, Coons E, Strachan A. Material property prediction of thermoset polymers by molecular dynamics simulations Acta Mechanica. 225: 1187-1196. DOI: 10.1007/S00707-013-1064-2  0.571
2013 Zhou Y, Strachan A. Phonon thermal transport outside of local equilibrium in nanowires via molecular dynamics. The Journal of Chemical Physics. 138: 124704. PMID 23556739 DOI: 10.1063/1.4793530  0.549
2013 Vedula RP, Palit S, Alam MA, Strachan A. Role of atomic variability in dielectric charging: A first-principles-based multiscale modeling study Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.205204  0.77
2013 Lin K, Strachan A. Thermal transport in SiGe superlattice thin films and nanowires: Effects of specimen and periodic lengths Physical Review B. 87: 115302. DOI: 10.1103/Physrevb.87.115302  0.559
2013 Kim H, Shaik NH, Xu X, Raman A, Strachan A. Multiscale contact mechanics model for RF–MEMS switches with quantified uncertainties Modelling and Simulation in Materials Science and Engineering. 21: 085002. DOI: 10.1088/0965-0393/21/8/085002  0.67
2013 Kim Y, Lin K, Strachan A. Molecular dynamics simulations of PMMA slabs: role of annealing conditions Modelling and Simulation in Materials Science and Engineering. 21: 65010. DOI: 10.1088/0965-0393/21/6/065010  0.643
2013 Strachan A, Mahadevan S, Hombal V, Sun L. Functional derivatives for uncertainty quantification and error estimation and reduction via optimal high-fidelity simulations Modelling and Simulation in Materials Science and Engineering. 21: 65009. DOI: 10.1088/0965-0393/21/6/065009  0.302
2013 Sullivan SE, Lin KH, Avdoshenko S, Strachan A. Limit for thermal transport reduction in Si nanowires with nanoengineered corrugations Applied Physics Letters. 103. DOI: 10.1063/1.4844995  0.595
2013 Onofrio N, Venturini GN, Strachan A. Molecular dynamic simulation of tip-polymer interaction in tapping-mode atomic force microscopy Journal of Applied Physics. 114: 094309. DOI: 10.1063/1.4820256  0.756
2013 Guda Vishnu K, Strachan A. Shape memory metamaterials with tunable thermo-mechanical response via hetero-epitaxial integration: A molecular dynamics study Journal of Applied Physics. 113. DOI: 10.1063/1.4794819  0.793
2013 Li C, Jaramillo E, Strachan A. Molecular dynamics simulations on cyclic deformation of an epoxy thermoset Polymer. 54: 881-890. DOI: 10.1016/J.Polymer.2012.12.007  0.546
2013 Nair AR, Mason BA, Groven LJ, Son SF, Strachan A, Cuitiño AM. Micro-RVE modeling of mechanistic response in porous intermetallics subject to weak and moderate impact loading International Journal of Plasticity. 51: 1-32. DOI: 10.1016/J.Ijplas.2013.06.009  0.328
2012 Cherukara MJ, Vishnu KG, Strachan A. Role of nanostructure on reaction and transport in Ni/Al intermolecular reactive composites Physical Review B. 86. DOI: 10.1103/Physrevb.86.075470  0.651
2012 Kim H, Strachan A. Size-dependent hardness of nanoscale metallic contacts from molecular dynamics simulations Physical Review B. 86. DOI: 10.1103/Physrevb.86.064101  0.665
2012 Vedula RP, Anderson NL, Strachan A. Effect of topological disorder on structural, mechanical, and electronic properties of amorphous silicon nitride: An atomistic study Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.205209  0.771
2012 Guda Vishnu K, Cherukara MJ, Kim H, Strachan A. Amorphous Ni/Al nanoscale laminates as high-energy intermolecular reactive composites Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.184206  0.791
2012 Jaramillo E, Wilson N, Christensen S, Gosse J, Strachan A. Energy-based yield criterion for PMMA from large-scale molecular dynamics simulations Physical Review B. 85: 24114. DOI: 10.1103/Physrevb.85.024114  0.354
2012 Guda Vishnu K, Strachan A. Size effects in NiTi from density functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.014114  0.784
2012 Kim H, Venturini G, Strachan A. Molecular dynamics study of dynamical contact between a nanoscale tip and substrate for atomic force microscopy experiments Journal of Applied Physics. 112: 094325. DOI: 10.1063/1.4762016  0.67
2012 Anderson NL, Pramod Vedula R, Schultz PA, Ginhoven RMV, Strachan A. Defect level distributions and atomic relaxations induced by charge trapping in amorphous silica Applied Physics Letters. 100. DOI: 10.1063/1.4707340  0.691
2012 Manukyan KV, Mason BA, Groven LJ, Lin YC, Cherukara M, Son SF, Strachan A, Mukasyan AS. Tailored reactivity of Ni+Al nanocomposites: Microstructural correlations Journal of Physical Chemistry C. 116: 21027-21038. DOI: 10.1021/Jp303407E  0.702
2012 Li C, Medvedev GA, Lee EW, Kim J, Caruthers JM, Strachan A. Molecular dynamics simulations and experimental studies of the thermomechanical response of an epoxy thermoset polymer Polymer (United Kingdom). 53: 4222-4230. DOI: 10.1016/J.Polymer.2012.07.026  0.58
2012 Li C, Browning AR, Christensen S, Strachan A. Atomistic simulations on multilayer graphene reinforced epoxy composites Composites Part a: Applied Science and Manufacturing. 43: 1293-1300. DOI: 10.1016/J.Compositesa.2012.02.015  0.524
2011 Anderson NL, Vedula RP, Schultz PA, Van Ginhoven RM, Strachan A. First-principles investigation of low energy E' center precursors in amorphous silica. Physical Review Letters. 106: 206402. PMID 21668246 DOI: 10.1103/Physrevlett.106.206402  0.78
2011 Han SP, van Duin AC, Goddard WA, Strachan A. Thermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamics. The Journal of Physical Chemistry. B. 115: 6534-40. PMID 21542572 DOI: 10.1021/Jp1104054  0.653
2011 Park Y, Tan W, Strachan A. Strain engineering via amorphization and recrystallization in Si/Ge heterostructures Physical Review B. 84: 125412. DOI: 10.1103/Physrevb.84.125412  0.619
2011 Lee DW, Kim H, Strachan A, Koslowski M. Effect of core energy on mobility in a continuum dislocation model Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.104101  0.675
2011 Kim H, Strachan A. Molecular dynamics characterization of the contact between clean metallic surfaces with nanoscale asperities Physical Review B. 83. DOI: 10.1103/Physrevb.83.024108  0.644
2011 Hegde G, Klimeck G, Strachan A. Role of surface orientation on atomic layer deposited Al2O3/GaAs interface structure and Fermi level pinning: A density functional theory study Applied Physics Letters. 99: 093508. DOI: 10.1063/1.3624897  0.331
2011 Li C, Strachan A. Effect of Thickness on the Thermo-Mechanical Response of Free-Standing Thermoset Nanofilms from Molecular Dynamics Macromolecules. 44: 9448-9454. DOI: 10.1021/Ma201927N  0.539
2011 Koslowski M, Strachan A. Uncertainty propagation in a multiscale model of nanocrystalline plasticity Reliability Engineering and System Safety. 96: 1161-1170. DOI: 10.1016/J.Ress.2010.11.011  0.386
2011 Li C, Strachan A. Molecular dynamics predictions of thermal and mechanical properties of thermoset polymer EPON862/DETDA Polymer. 52: 2920-2928. DOI: 10.1016/J.Polymer.2011.04.041  0.557
2010 Kim H, Strachan A. Nanoscale metal-metal contact physics from molecular dynamics: the strongest contact size. Physical Review Letters. 104: 215504. PMID 20867115 DOI: 10.1103/Physrevlett.104.215504  0.661
2010 Park Y, Zhou Y, Jhaveri J, Strachan A. Molecular Dynamics Simulations of Strain Engineering and Thermal Transport in Nanostructured Materials Computing in Science & Engineering. 12: 36-42. DOI: 10.1109/Mcse.2010.44  0.705
2010 Thompson A, Strachan A. Complex martensitic nanostructure in Zr nanowires: A molecular dynamics study Physical Review B. 81: 85429. DOI: 10.1103/Physrevb.81.085429  0.318
2010 Li C, Strachan A. Molecular simulations of crosslinking process of thermosetting polymers Polymer. 51: 6058-6070. DOI: 10.1016/J.Polymer.2010.10.033  0.599
2010 Guda Vishnu K, Strachan A. Phase stability and transformations in NiTi from density functional theory calculations Acta Materialia. 58: 745-752. DOI: 10.1016/J.Actamat.2009.09.019  0.779
2009 Zhou Y, Strachan A. Thermal conduction in molecular materials using coarse grain dynamics: role of mass diffusion and quantum corrections for molecular dynamics simulations. The Journal of Chemical Physics. 131: 234113. PMID 20025320 DOI: 10.1063/1.3272028  0.569
2009 Park Y, Atkulga HM, Grama AY, Strachan A. Strain relaxation in Si/Ge/Si nanoscale bars from molecular dynamics simulations Journal of Applied Physics. 106: 34304. DOI: 10.1063/1.3168424  0.546
2008 Palaria A, Klimeck G, Strachan A. Structures and energetics of silicon nanotubes from molecular dynamics and density functional theory Physical Review B. 78. DOI: 10.1103/Physrevb.78.205315  0.388
2008 Lynch K, Thompson A, Strachan A. Coarse grain modeling of spall failure in molecular crystals: role of intra-molecular degrees of freedom Modelling and Simulation in Materials Science and Engineering. 17: 015007. DOI: 10.1088/0965-0393/17/1/015007  0.392
2007 Zhou Y, Anglin B, Strachan A. Phonon thermal conductivity in nanolaminated composite metals via molecular dynamics. The Journal of Chemical Physics. 127: 184702. PMID 18020653 DOI: 10.1063/1.2802366  0.568
2007 Luo SN, Zheng L, Strachan A, Swift DC. Melting dynamics of superheated argon: nucleation and growth. The Journal of Chemical Physics. 126: 034505. PMID 17249882 DOI: 10.1063/1.2424715  0.348
2007 Zhao S, Germann TC, Strachan A. Molecular Dynamics Characterization of the Response of Ni/Al Nanolaminates Under Dynamic Loading Journal of Propulsion and Power. 23: 693-697. DOI: 10.2514/1.25727  0.354
2007 Zhao S, Germann TC, Strachan A. Melting and alloying of Ni/Al nanolaminates induced by shock loading : A molecular dynamics simulation study Physical Review B. 76: 104105. DOI: 10.1103/Physrevb.76.104105  0.333
2007 Jaramillo E, Sewell TD, Strachan A. Atomic-level view of inelastic deformation in a shock loaded molecular crystal Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.064112  0.37
2007 Zhao S, Germann TC, Strachan A. Molecular dynamics simulation of dynamical response of perfect and porous Ni/Al nanolaminates under shock loading Physical Review B. 76: 14103. DOI: 10.1103/Physrevb.76.014103  0.351
2007 Arumbakkam A, Davidson E, Strachan A. Heteroepitaxial integration of metallic nanowires: transition from coherent to defective interfaces via molecular dynamics Nanotechnology. 18: 345705. DOI: 10.1088/0957-4484/18/34/345705  0.368
2007 Luo S, Zheng L, Strachan A, Swift DC. Reply to “Comment on ‘Melting dynamics of superheated argon: Nucleation and growth’” [J. Chem. Phys. 126, 034505 (2007)] Journal of Chemical Physics. 126: 187102-187102. DOI: 10.1063/1.2732744  0.327
2006 Zhao S, Germann TC, Strachan A. Atomistic simulations of shock-induced alloying reactions in Ni∕Al nanolaminates Journal of Chemical Physics. 125: 164707-164707. PMID 17092120 DOI: 10.1063/1.2359438  0.341
2005 Strachan A, Kober EM, van Duin AC, Oxgaard J, Goddard WA. Thermal decomposition of RDX from reactive molecular dynamics. The Journal of Chemical Physics. 122: 54502. PMID 15740334 DOI: 10.1063/1.1831277  0.678
2005 Strachan A, Holian BL. Energy exchange between mesoparticles and their internal degrees of freedom. Physical Review Letters. 94: 014301. PMID 15698085 DOI: 10.1103/Physrevlett.94.014301  0.321
2005 Luo S, Strachan A, Swift DC. Deducing solid–liquid interfacial energy from superheating or supercooling: application to H2O at high pressures Modelling and Simulation in Materials Science and Engineering. 13: 321-328. DOI: 10.1088/0965-0393/13/3/002  0.333
2005 Strachan A, Goddard WA. Large electrostrictive strain at gigahertz frequencies in a polymer nanoactuator: Computational device design Applied Physics Letters. 86: 083103. DOI: 10.1063/1.1862343  0.424
2004 Luo SN, Strachan A, Swift DC. Nonequilibrium melting and crystallization of a model Lennard-Jones system. The Journal of Chemical Physics. 120: 11640-9. PMID 15268198 DOI: 10.1063/1.1755655  0.323
2004 Strachan A. Normal modes and frequencies from covariances in molecular dynamics or Monte Carlo simulations Journal of Chemical Physics. 120: 1-4. PMID 15267252 DOI: 10.1063/1.1635364  0.322
2004 Su H, Strachan A, Goddard WA. Density functional theory and molecular dynamics studies of the energetics and kinetics of electroactive polymers: PVDF and P(VDF-TrFE) Physical Review B. 70. DOI: 10.1103/Physrevb.70.064101  0.599
2004 Strachan A, Ça in T, Gülseren Ou, Mukherjee S, Cohen RE, GoddardIII WA. First principles force field for metallic tantalum Modelling and Simulation in Materials Science and Engineering. 12: S445-S459. DOI: 10.1088/0965-0393/12/4/S10  0.378
2004 Wang G, Strachan A, in TÇ, GoddardIII WA. Calculating the Peierls energy and Peierls stress from atomistic simulations of screw dislocation dynamics: application to bcc tantalum Modelling and Simulation in Materials Science and Engineering. 12. DOI: 10.1088/0965-0393/12/4/S06  0.602
2004 Diallo MS, Strachan A, Faulon JL, Goddard WA. Thermodynamic properties of asphaltenes through computer assisted structure elucidation and atomistic simulations. 1. Bulk Arabian light asphaltenes Petroleum Science and Technology. 22: 877-899. DOI: 10.1081/Lft-120040254  0.458
2003 Strachan A, van Duin AC, Chakraborty D, Dasgupta S, Goddard WA. Shock waves in high-energy materials: the initial chemical events in nitramine RDX. Physical Review Letters. 91: 098301. PMID 14525217 DOI: 10.1103/Physrevlett.91.098301  0.788
2003 Wang G, Strachan A, Çağın T, Goddard WA. Atomistic simulations of kinks in1/2a〈111〉screw dislocations in bcc tantalum Physical Review B. 68. DOI: 10.1103/Physrevb.68.224101  0.448
2003 Luo S, Ahrens TJ, Çağın T, Strachan A, Goddard WA, Swift DC. Maximum superheating and undercooling: Systematics, molecular dynamics simulations, and dynamic experiments Physical Review B. 68. DOI: 10.1103/Physrevb.68.134206  0.463
2003 Segall DE, Strachan A, Goddard WA, Ismail-Beigi S, Arias TA. Ab initio and finite-temperature molecular dynamics studies of lattice resistance in tantalum Physical Review B - Condensed Matter and Materials Physics. 68: 141041-1410411. DOI: 10.1103/Physrevb.68.014104  0.448
2003 Wang G, Strachan A, Çağın T, Goddard WA. Role of core polarization curvature of screw dislocations in determining the Peierls stress in bcc Ta: A criterion for designing high-performance materials Physical Review B. 67. DOI: 10.1103/Physrevb.67.140101  0.43
2003 van Duin ACT, Strachan A, Stewman S, Zhang Q, Xu X, Goddard WA. ReaxFFSiOReactive Force Field for Silicon and Silicon Oxide Systems The Journal of Physical Chemistry A. 107: 3803-3811. DOI: 10.1021/Jp0276303  0.659
2002 Luo SN, Çaǧin T, Strachan A, Goddard WA, Ahrens TJ. Molecular dynamics modeling of stishovite Earth and Planetary Science Letters. 202: 147-157. DOI: 10.1016/S0012-821X(02)00749-5  0.498
2001 Wang G, Strachan A, ÇaǦin T, Goddard WA. Atomistic Simulation of kinks for 1/2a Screw Dislocation in Ta Mrs Proceedings. 677. DOI: 10.1557/Proc-677-Aa7.30  0.527
2001 Strachan A, Çağın T, Goddard WA. Reply to “Comment on ‘Phase diagram of MgO from density-functional theory and molecular- dynamics simulations’ ” Physical Review B. 63. DOI: 10.1103/Physrevb.63.096102  0.44
2001 Strachan A, Çağın T, Goddard WA. Critical behavior in spallation failure of metals Physical Review B. 63. DOI: 10.1103/Physrevb.63.060103  0.439
2001 Wang G, Strachan A, Çağin T, Goddard III WA. Journal of Computer-Aided Materials Design. 8: 117-125. DOI: 10.1023/A:1020038515726  0.588
2001 Wang G, Strachan A, Cagin T, Goddard WA. Molecular dynamics simulations of 1/2 a<1 1 1> screw dislocation in Ta Materials Science and Engineering A. 309: 133-137. DOI: 10.1016/S0921-5093(00)01739-1  0.654
2001 Qi Y, Strachan A, Cagin T, Goddard WA. Large scale atomistic simulations of screw dislocation structure, annihilation and cross-slip in FCC Ni Materials Science and Engineering A. 309: 156-159. DOI: 10.1016/S0921-5093(00)01716-0  0.578
2000 Lee H, Qi Y, Strachan A, Cagin T, Goddard WA, Johnson WL. Molecular Dynamics Simulations of Supercooled Liquid Metals and Glasses Mrs Proceedings. 644. DOI: 10.1557/Proc-644-L2.3  0.59
1999 Strachan A, Dorso CO. Temperature and energy partition in fragmentation Physical Review C. 59: 285-294. DOI: 10.1103/Physrevc.59.285  0.323
1999 Strachan A, Çağin T, Goddard WA. Phase diagram of MgO from density-functional theory and molecular-dynamics simulations Physical Review B. 60: 15084-15093. DOI: 10.1103/Physrevb.60.15084  0.449
1998 Strachan A, Dorso CO. Caloric curve in fragmentation Physical Review C. 58. DOI: 10.1103/Physrevc.58.R632  0.346
1997 Strachan A, Dorso CO. Fragment recognition in molecular dynamics Physical Review C. 56: 995-1001. DOI: 10.1103/Physrevc.56.995  0.316
1996 Dorso C, Strachan A. Onset of fragment formation in periodic expanding systems. Physical Review B. 54: 236-243. PMID 9984251 DOI: 10.1103/Physrevb.54.236  0.751
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