**Journal Papers**

- F.G. VanGessel, G. Kumar, D.C. Elton, P.W. Chung, “A Phonon Boltzmann Study of Microscale Thermal Transport in \alpha-RDX Cook-Off,” arXiv preprint arXiv preprint arXiv:1808.08295. (in Proceedings of the 2018 International Detonation Symposium, Cambridge, MD)
- B.C. Barnes, D.C. Elton, Z. Boukouvalas, D.C.E. Taylor, W.D. Mattson, M.D. Fuge, P.W. Chung, “Machine Learning of Energetic Materials Properties,” arXiv preprint arXiv:1807.06156. (in Proceedings of the 2018 International Detonation Symposium, Cambridge, MD)
- D.C Elton, Z. Boukouvalas, M.S. Butrico, M.D. Fuge, P.W. Chung, “Applying machine learning techniques to predict the properties of energetic materials”,
*Scientific Reports*8, 9059, (2018). DOI:10.1038/s41598-018-27344-x - F.G. VanGessel, J. Peng, and P.W. Chung, “A review of computational phononics: the bulk, interfaces, and surfaces,”
*Journal of Materials Science*, 93 (2017), DOI:10.1007/s10853-017-1728-8. - J. Peng, P.W. Chung, M. Dubey, R.R. Namburu, “Tunable electron and phonon properties of folded single-layer molybdenum disulfide,”
*NanoResearch*, (2017) DOI:10.1007/s12274-017-1770-5. - F.G. VanGessel and P.W. Chung, “An Anisotropic Full Brillouin Zone Model for the Phonon Boltzmann Transport Equation,”
*Computer Methods in Applied Mechanics and Engineering*, 317 (2017), pp. 1012-1036, DOI:10.1016/j.cma.2017.01.010. - R. Weisburgh and P.W. Chung, “Systematically Composable Operators for Lattice Defect Dynamics,”
*International Journal of Solids and Structures*, DOI:10.1016/j.ijsolstr.2017.01.029, 2017 - J.E. Andrews, Y. Wang, S. Sinha, P.W. Chung, S Das, “Roughness-Induced Chemical Heterogeneity Leads to Large Hydrophobicity in Wetting-Translucent Nanostructures”,
*The Journal of Physical Chemistry C*121 (18), 10010-10017.**DOI:**10.1021/acs.jpcc.7b02222 - J.E. Andrews, S. Sinha, P.W. Chung, S. Das, “Wetting Dynamics of Water Nanodrop on Graphene,”
*Phys. Chem. Chem. Phys.*, 2016, DOI:10.1039/C6CP01936F. - C-C. Wu, S. Aubry, A. Arsenlis, and P.W. Chung, “Binary dislocation junction formation and strength in hexagonal close-packed crystals,”
*Int. J. Plasticity*, 2015, doi:10.1016/j.ijplas.2015.12.003 - J. Crone, P. W. Chung, K. Leiter, J. Knap, S. Aubry, G. Hommes, and A. Arsenlis, “A multiply parallel implementation of finite element-based discrete dislocation dynamics for arbitrary geometries,”
*Modelling and Simulation in Materials Science and Engineering,*22, 035014, 2014. - J. Solomon, P. W. Chung, D. Srivastava, E. Darve, “Method and Advantages of Genetic Algorithms in Parameterization of Interatomic Potentials: Metal-Oxides,”
*Computational Materials Science*, 81, 453-465, 2014. - M. Shahzamanian, T. Tadepalli, A.M. Rajendran, W. D. Hodo, R. Mohan, P. W. Chung, and J. J. Ramsey, “Representative Volume Element Based Modeling of Cementitious Materials,”
*Journal of Engineering Materials and Technology – Transactions of ASME*, 136, 011007, 2014. - L.B. Munday, R. Mitchell, J. Knap, and P. W. Chung, “Role of molecule flexibility on the nucleation of dislocations in molecular crystals,”
*Applied Physics Letters*, 103, 151911, 2013. - N. Mathew, C. Picu, and P. W. Chung, “Peierls Stress of Dislocations in Molecular Crystal Cyclotrimethylene Trinitramine,”
*Journal of Physical Chemistry A*, 117, 5326-5334, 2013. - N.S. Weingarten and P. W. Chung, “a-Type edge dislocation mobility in wurtzite GaN using molecular dynamics,”
*Scripta Materialia*, 69, 311-314, 2013. - B. Kraczek and P. W. Chung, “Investigation of direct and indirect phonon-mediated bond excitation in alpha-RDX,”
*The Journal of Chemical Physics*, 138, 074505, 2013. - C.-C. Wu, P. W. Chung, S. Aubry, L. B. Munday, and A. Arsenlis, “On the strength of binary junctions in hexagonal close-packed crystals,”
*Acta Materialia*, 61, 3422-3431, 2013. - L.B. Munday, S. Solares, and P. W. Chung, “Generalized stacking fault energy surfaces in the molecular crystal alpha-RDX,”
*Philosophical Magazine*, 92, 3036-3050, 2012. - B.J. Henz, P.W. Chung, J. W. Andzelm, T.L. Chantawansri, J.L. Lenhart, and F.L. Beyer, “Determination of Binding Energy and Solubility Parameters for Functionalized Gold Nanoparticles by Molecular Dynamics Simulation,”
*Langmuir*, 27, 7836-7842, 2011. - Z. Zhang, A. Chatterjee, C. Grein, A. J. Ciani, and P. W. Chung, “Atomic-scale modeling of InxGa1-xN quantum dot self-assembly,”
*Journal of Vacuum Science & Technology B*, 29, 03C133, 2011. - Izvekov, P. W. Chung, and B. M. Rice, “Non-equilibrium molecular dynamics simulation study of heat transport in RDX,”
*International Journal of Heat and Mass Transfer*, 54, 5623-5632, 2011. - S. Izvekov, P. W. Chung and B. M. Rice, “Particle-based multiscale coarse graining with density-dependent potentials: Application to molecular crystals,”
*Journal of Chemical Physics*, 135, 044112, 2011. - J.C. Crone, J. Knap, P. W. Chung, and B. M. Rice, “Role of Microstructure in the Initiation of Ni-Al Reactive Multilayers,”
*Applied Physics Letters*, 98, 141910, 2011. - L.B. Munday, P. W. Chung, B. M. Rice, and S. Solares, “Simulations of High Pressure Phases in RDX,”
*The Journal of Physical Chemistry B*, 115, 4378-4386, 2011. - Z. Zhang, A. Chatterjee, C. Grein, A. J. Ciani, and P. W. Chung, “Molecular Dynamics Simulation of MBE Growth of CdTe/ZnTe/Si,”
*Journal of Electronic Materials*, 40, 109-121, 2011. - A. Ciani and P. W. Chung, “Simulations of Dislocations in CdZnTe/SL/Si Substrates,”
*Journal of Electronic Materials*, 39, 1063-1069, 2010. - J.J. Ramsey, E. Pan, P. W. Chung, and Z. M. Wang, “Superlattice Growth via MBE and Green’s Function Techniques,”
*Nanoscale Research Letters*, 5, 1272-1278, 2010. - S. Izvekov, P. W. Chung and B. M. Rice, “The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials,”
*Journal of Chemical Physics*, 133, 064109, 2010. - X. Wang, E. Pan, and P. W. Chung, “Misfit dislocation dipoles in wire composite solids,”
*International Journal of Plasticity*, 26, 1415-1420, 2010. - E. Pan, Y. Zou, P. W. Chung, and Y. Zhang, “Interlayer correlation of embedded quantum-dot arrays through their surface strain energy distributions,”
*Physical Review B*, 80, 073302, 2009. - X. Wang, E. Pan, and P. W. Chung, “Some basic problems of anisotropic bimaterials with a viscoelastic interface,”
*International Journal of Solids and Structures,*46, 3725-3733, 2009. - E. Pan, Y. Zou, P. W. Chung, and J. D. Albrecht, “Strain-induced variations of electronic energy band edges of embedded semiconductor quantum dots in half-space substrates,”
*Journal of Applied Physics*, 106, 073504, 2009. - X. Wang, E. Pan and P. W. Chung, “On a Semi-Infinite Crack Penetrating a Piezoelectric Circular Inhomogeneity with a Viscous Interface,”
*International Journal of Solids and Structures*, 46, 203-216, 2009. - J.J. Ramsey, E. Pan and P. W. Chung “Modeling of Strain Fields Quantum Wires with Continuum Mechanics Methods and Molecular Statics,”
*Journal of Physics: Condensed Matter*, v. 20, 485215, 2008. - J.D. Clayton, P. W. Chung, M. A. Grinfeld, and W. D. Nothwang, “Kinematics, electromechanics, and kinetics of dielectric and piezoelectric crystals with lattice defects
*,*”*International Journal of Engineering Science,*46, 10-30, 2008. - J.D. Clayton, P. W. Chung, M. A. Grinfeld, and W. D. Nothwang, “Continuum modeling of charged vacancy migration in elastic dielectric solids, with application to perovskite thin films,”
*Mechanics Research Communications*, 35, 57-64, 2008. - E. Pan, Y. Zhang, P. W. Chung and M. Denda, “Strain energy on the surface of an anisotropic half-space substrate: effect of quantum-dot shape and depth,”
*CMES-Computer Modeling in Engineering and Science*, 24, 157-168, 2008. - E. Pan, Y. Zhang, and P. W. Chung, “BEM calculation of strain energy density and relative strain energy in QWR nanostructures,”
*Engineering Analysis with Boundary Elements*, 32, 328-335, 2008. - E. Pan, M. Sun, P. W. Chung, and R. Zhu, “Three-dimensional kinetic Monte Carlo simulation of prepatterned quantum-dot island growth,”
*Applied Physics Letters,*91, 193110, 2007. - P.W. Chung and J. D. Clayton, “Multiscale Modeling of Point and Line Defects in Cubic Lattices,”
*International Journal for Multiscale Computational Engineering*, 5, 203-226, 2007. - J. Andzelm, F. L. Beyer, J. Snyder, and P. W. Chung, “Multiscale Simulations of Triblock Copolymers,”
*International Journal of Multiscale Computational Engineering*, 5, 167-179, 2007. - C. Fulk, W. Walkosz, A. Chatterjee, S. Ögüt, C. H. Grein, and P. W. Chung, “First Principles Calculation of Stillinger-Weber Potential Parameters for InN,”
*Journal of Vacuum Science and Technology A*, 26, 193-197, 2007. - R. Zhu, E. Pan, and P. W. Chung, “Fast multiscale kinetic Monte Carlo simulations of three-dimensional self-assembled quantum dot islands,”
*Physical Review B*, 75, 205339, 2006. - R. Zhu, E. Pan, P. W. Chung, X. Cai, K.M. Liew, and A. Buldum, “Atomistic Calculation of Elastic Moduli in Strained Silicon,”
*Semiconductor Science and Technology*, 21, 906-911, 2006. - E. Pan, R. Zhu, and P. W. Chung, “On the correlation between the self-organized island pattern and substrate elastic anisotropy,”
*Journal of Applied Physics*, 100, 013527, 2006. - P.W. Chung, “Theoretical prediction of stress-induced phase transformations of the second kind in graphene,”
*Physical Review B*, 73, 075433, 2006. - J.D. Clayton and P. W. Chung, “An atomistic-to-continuum framework for nonlinear crystal mechanics based on asymptotic homogenization,”
*Journal of the Mechanics and Physics of Solids*, 54, 1604-1639, 2006. - R.R. Valisetty, P. W. Chung and R.R. Namburu, “Scalable computing for the transient elasto-plastic impact analysis of composite armor using the homogenization method,”
*Computers & Structures*, 84, 49-60, 2005. - E. Pan, R. Zhu and P. W. Chung, “Effect of elastic strain energy on self-organized pattern formation
*,”**Proceedings of the Institution of Mechanical Engineers, Part N: Journal of Nanoengineering and Nanosystems*, 218, 71-82, 2004. - P.W. Chung, “Computational Method for Atomistic Homogenization of Nanopatterned Point Defect Structures,”
*International Journal for Numerical Methods in Engineering*, 60, 833-859, 2004. - P.W. Chung, K. K. Tamma and R. R. Namburu “A Computational Approach for Multi-Scale Analysis of Heterogeneous Elasto-Plastic Media Subjected to Short Duration Loads,”
*International Journal for Numerical Methods in Engineering*, 59, 825-848, 2004. - P.W. Chung, R. R. Namburu and B. J. Henz, “A Lattice Statics-Based Finite Element Method,” CMES-
*Computer Modeling in Engineering & Sciences,*5, 45-62, 2004. - P.W. Chung and R. R. Namburu, “On a Formulation for a Multiscale Atomistic-Continuum Homogenization Method,”
*International Journal of Solids and Structures*, 40, 10, 2563-2588, 2003. - B.J. Henz, K. K. Tamma, R. Kanapady, N.D. Ngo, and P.W. Chung, “Process modeling of composites by resin transfer molding: practical applications of sensitivity analysis for isothermal considerations,”
*International Journal of Numerical Methods for Heat & Fluid Flow*, 13, 415-447, 2003. - P.W. Chung, K. K. Tamma and R. R. Namburu, “Asymptotic Expansion Homogenization for Heterogeneous Media: Computational Issues and Applications,”
*Composites Part A: Applied Science and Manufacturing,*32, 1291-1301, 2001. - P.W. Chung, K. K. Tamma and R. R. Namburu, “On the Homogenization of Temperature Dependent Thermal Conductivity in Composite Materials,”
*Journal of Thermophysics and Heat Transfer*, v. 15, 10-17, 2001. - P.W. Chung, K. K. Tamma and R. R. Namburu, “Micro/macro homogenization approach for viscoelastic creep analysis with dissipative correctors for heterogeneous woven-fabric layered media,”
*Composites Science and Technology*, 60, 2233-2253, 2000. - P.W. Chung, K. K. Tamma and R. R. Namburu, “Finite element thermo-viscoelastic creep approach for heterogeneous structures with dissipative correctors,”
*Finite Elements in Analysis and Design,*36, 279-313, 2000. - P.W. Chung, K. K. Tamma and R. R. Namburu, “A finite element coupled thermoviscoelastic creep approach for heterogeneous structures,”
*Journal of Thermal Stresses*, 23, 703-729, 2000. - P.W. Chung and K. K. Tamma, “Woven Fabric Composites: Developments in Engineering Bounds, Homogenization, and Applications,”
*International Journal for Numerical Methods in Engineering*, 45, 1757-1790, 1999. - N.D. Ngo, R. V. Mohan, P. W. Chung and K. K. Tamma, “Recent Developments encompassing non-isothermal/isothermal liquid composite molding process modeling/analysis: Physically accurate, computationally effective, and affordable simulations and validations,”
*Journal of Thermoplastic Composite Materials,*11, 493-532, 1998. - E.A. Thornton, D. X. Eby and P. W. Chung, “Torsional Buckling of the Hubble Space Telescope Solar Arrays,”
*International Journal of Space Structures*, 13, 65-86, 1998.

**Recent Conferences**

- J. Peng and P. W. Chung, “Computational Study of Thermal Transport in Folded Molybdenum Disulphide (MoS2) Nanostructure,” ASME 2016 International Mechanical Engineering Conference & Exhibition, 2016, Phoenix, AZ.
- R. Weisburgh and P. W. Chung, “Atomic Operators for Phonon Bandgap Design,” ASME 2016 International Mechanical Engineering Conference & Exhibition, 2016, Phoenix, AZ.
- F. G. VanGessel and P.W. Chung, “Three Dimensional Anisotropic Brillouin Zone Boltzmann Transport Solver for Simulation of Fin Field Effect Transistor (FinFET) Arrays,” ASME 2016 International Mechanical Engineering Conference & Exhibition, 2016, Phoenix, AZ.
- J. Peng and P. W. Chung, “The electronic and thermal properties in the folds of MoS2”, 2016 Society of Engineering Sciences, College Park, MD.
- R. Weisburgh and P. W. Chung, “Linear Operators for Spectral Analysis and Design,” 2016 Society of Engineering Sciences, College Park, MD.
- R. Weisburgh and P.W. Chung, “Scalable, Composable Operators for Defect Analysis and Design,” 2016 American Physical Society March Meeting, Baltimore, MD.
- J. Peng and P.W. Chung, “Computational study of electronic and thermal properties of folded single layer molybdenum disulphide,” 2016 American Physical Society March Meeting, Baltimore, MD.
- F. G. VanGessel and P. W. Chung, “Full-Band Microscale Heat Transfer Study of Fin Field Effect Transistor (FinFET) Designs,” ASME 2015 International Mechanical Engineering Conference & Exhibition, 2015, Houston, TX.
- B. Kraczek and P. W. Chung, “Phonon Mode Analysis of Bond Excitation in Small and Large Molecule Solid Explosives,” MRS Fall Meeting & Exhibit, Boston, Massachusetts, Dec, 2013.
- C.-C. Wu and P. W. Chung, “A Semi-Empirical Approach for Accurate Dislocation Junction Strength of Any Hexagonal Close-Packed Crystal,” MRS Fall Meeting & Exhibit, Boston, Massachusetts, Dec, 2013.
- B. Kraczek and P. W. Chung, “Multiscale Thermal Modeling for Complex Materials,” APS March Meeting, Boston, Massachusetts, Mar, 2012
- B. Kraczek and P. W. Chung, “Quasi-harmonic analysis of anisotropic statistical mechanics of shocked RDX“ 22
^{nd}International Workshop on Computational Mechanics of Materials, Baltimore, Maryland, Sept, 2012.

**Other Reports & Publications**

- Computation Enabled Materials Discovery Symposium, 2015.
- C-C. Wu, N. S. Weingarten, and P. W. Chung, “Cross slip of dislocation loops in GaN,” Physica Status Solidi (c), 11, 432-436, 2014.
- P.W. Chung, “The Materials Difference,” Army AL&T Magazine, 78-82, Jan-Mar 2012.
- B. Kraczek and P. W. Chung, “POSTER: Quasi-harmonic analysis of anisotropic statistical mechanics of shocked RDX,” Gordon Conference, Vermont, Jul, 2012.
- L.B. Munday, S. Solares, and P. W. Chung “POSTER: Generalized Stacking Fault Energy Surfaces in RDX,” Gordon Conference, Vermont, Jul, 2012.
- J.J. Ramsey and P. W. Chung, “Computing the Effects of Strain on Electronic States: A Survey of Methods and Issues”, ARL-TR-6287, 2012.
- K.A. Jones, A. J. Ciani, I. Batyrev, and P. W. Chung, “Modeling the Growth of Aluminum Gallium Nitride ((Al)GaN) Films Grown on Aluminum Nitride (AlN) Substrates,” ARL-MR-0770, 2011.
- P.W. Chung, A. D. Rollet, J. Larentzos, and J. Blaudeau, “An Overview of Mesoscale Modeling Software for Energetic Materials,” A534815, 2010.
- J.C. Crone, J. Knap, P. W. Chung and B. M. Rice, “The Effect of Misfit Strain on Ignition Temperature in NiAl Reactive Multilayers,” International Detonation Symposium, Coeur d’Alene, Idaho, 2010.
- L.B. Munday, P. W. Chung, B. M. Rice, S. Solares “Phase Transition Behavior and Defect Structures of RDX through Molecular Dynamics” International Detonation Symposium, Coeur d’Alene, Idaho, 2010.
- M. Sun, E. Pan and P. W. Chung “Three-dimensional InAs/GaAs quantum-dot islands size and density study using kinetic Monte Carlo simulation”, Quantum Dots, Particles and Nanoclusters VI, ed. Kurt G. Eyink, Frank Szmulowicz, Diana L. Huffaker, Proc. Of SPIE, Vol 7224, 722406, 2009.
- S.Creighton, P. W. Chung and J. D. Clayton, “Multiscale Modeling of Piezoelectric Materials,” ARL-TR-4651, 2008.
- J.C. Crone and P. W. Chung, “Modeling of Toroidal Ordering in Ferroelectric Nanodots,” ARL-TR-4165, 2007.
- J.C. Crone, S. Solares, and P. W. Chung, “Simulated Frequency and Force Modulation Atomic Force Microscopy on Soft Samples,” ARL-TR-4166, 2007.
- D.H. Kodan and P. W. Chung, “Simulating Photonic Band Gaps in Crystals,” ARL-TR-4167, 2007.
- J. D Clayton, P. W. Chung, M. W. Cole, J. Demaree, M. Greenfield, S. Hirsch, P. Joshi, and W. D. Nothwang, 2006. “Residual stress, defects, dielectric polarization, and thickness effects in ultra-thin film barium strontium titanate,” Proceedings of Materials Science and Technology Conference, Cincinnati, OH, v 1, 2777-2784, Oct, 2006.
- P.W. Chung, J. D. Clayton, M. W. Cole, M. Grinfeld, P. Grinfeld, W. D. Nothwang, “Stress driven rearrangement instability of crystalline films with electromechanical interaction,” Materials Research Society Symposium Proceedings, 924, 97, 2006.
- J. Andzelm, J. Sloan, E. Napadensky, R. Beyer, J. Snyder, S. McKnight, and P. W. Chung “Multiscale modeling of polymer membranes for soldier protective clothing,” ADA480962, 2006.
- Y. Liang, R. Kanapady, and P. W. Chung, “Truncated Newton-Raphson Methods for Quasicontinuum Simulations,” ARL-TR-3791, 2006.
- R.R. Valisetty, P. W. Chung, and R. R. Namburu, “Scalable Coupling of Multiscale AEH and PARADYN Analyses for Impact Modeling,” ARL-TR-3512, 2005.
- M.J. Leamy, P. W. Chung, and R. R. Namburu, “Development of a Non-Periodic Homogenization Method for One-Dimensional Continua,” ARL-TR-3197, 2004.
- P.W. Chung, “Whitepaper: A Transformation Capability Review of Total Army Analysis – Modeling and Process Continuous Improvement,” Logistics Transformation Task Force, Aug, 2002.
- M.J. Leamy, P.W. Chung, R.R. Namburu “On an exact mapping and a higher order born rule for use in analyzing graphene carbon nanotubes,” ARL-TR-3117, 2003.
- P.W. Chung and R. R. Namburu “Multiscale Methodology: From Atoms to Continuum,” ARL-TR-2645, 2002.
- P.W. Chung, R. R. Namburu, C. Cornwell, B. J. Henz, and J. A. Clarke, “Computational Method for Atomistic-Continuum Homogenization,” ARL-TR-2894, 2002.
- B.J. Henz, K. K. Tamma, R. Kanapady, N. Ngo, and P. W. Chung, “Process Modeling of Composites by Resin Transfer Molding: Sensitivity Analysis for Isothermal Considerations,” ARL-TR-2686, 2002.
- R.R. Valisetty, R. R. Namburu, and P. W. Chung, “Scalable Implementation of Three-Dimensional Heterogeneous Media Subjected to Short Transient Impact Loads,” ARL-TR-2351, 2000.