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Publications

A complete list of our publications is available at Google Scholar  or  ResearchGate. Below please find a list of selected publications in each of our research areas.

Selected Publications on theoretical formulation

  1. Chen, Y., Unifying temperature definition in atomistic and field representations of conservation laws, Proceedings of the Royal Society A, 2024,  480, 20230606.
  2. Chen, Y., S. Shabanov, and D.L. McDowell, Concurrent atomistic-continuum modeling of crystalline materials. Journal of Applied Physics, 2019. 126(10): p. 101101.
  3. Chen, Y. and A. Diaz, Physical foundation and consistent formulation of atomic-level fluxes in transport processes. Physical Review E, 2018. 98(5): p. 052113.
  4. Chen, Y. and A. Diaz, Local momentum and heat fluxes in transient transport processes and inhomogeneous systems. Physical Review E, 2016. 94(5): p. 053309.
  5. Chen, Y., The origin of the distinction between microscopic formulas for stress and Cauchy stress. EPL (Europhysics Letters), 2016. 116(3): p. 34003.
  6. Chen, Y., Reformulation of microscopic balance equations for multiscale materials modeling. The Journal of Chemical Physics, 2009. 130(13): p. 134706.

Selected Publications on multiscale methods and tools 

  1. A. Diaz, B. Gu, Y. Li, S.J. Plimpton, D.L. McDowell, Y. Chen, A parallel algorithm for the concurrent atomistic-continuum methodology, Journal of Computational Physics, 463 (2022) 111140.
  2. X. Chen,  A. Diaz, L. Xiong, D.L. McDowell, and Y. Chen, Passing waves from atomistic to the continuum. Journal of Computational Physics, 2018. 354: p. 393-402
  3. S. Xu, T.G. Payne, H. Chen, Y. Liu, L. Xiong, Y. Chen, D.L. McDowell, PyCAC: The concurrent atomistic-continuum simulation environment, Journal of Materials Research, 33 (2018) 857-871.
  4. L. Xiong, Q. Deng, G. Tucker, D.L. McDowell, Y. Chen, A concurrent scheme for passing dislocations from atomistic to continuum domains, Acta Materialia, 60 (2012) 899-913.
  5. A. Diaz, D. McDowell, Y. Chen, The Limitations and Successes of Concurrent Dynamic Multiscale Modeling Methods at the Mesoscale, Generalized Models and Non-classical Approaches in Complex Materials, Springer2018, pp. 55-77.

Selected Publications on atomistic and multiscale mechanics

  1. Gu, B.,  Y. Li, A. Diaz, Y. Peng, D.L. McDowell, Y. Chen, Brittle and Ductile Deformations in Uniaxial Compression of Si Micropillars, Acta Materialia, 2025, 12100
  2. Xu, S., L. Xiong, Y. Chen, and D.L. McDowell, Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study. npj Computational Materials, 2016. 2: p. 15016.
  3. Xiong, L., J. Rigelesaiyin, X. Chen, S. Xu, D.L. McDowell, and Y. Chen, Coarse-grained elastodynamics of fast moving dislocations. Acta Materialia, 2016. 104: p. 143-155.
  4. Zhang, N., S. Yang, L. Xiong, Y. Hong, and Y. Chen, Nanoscale toughening mechanism of nacre tablet. Journal of the Mechanical Behavior of Biomedical Materials, 2016. 53: p. 200-209.
  5. Yang, S., N. Zhang, and Y. Chen, Concurrent atomistic–continuum simulation of polycrystalline strontium titanate. Philosophical Magazine, 2015. 95(24): p. 2697-2716.
  6. Deng, Q., L. Xiong, and Y. Chen, Coarse-graining atomistic dynamics of brittle fracture by finite element method. International Journal of Plasticity, 2010. 26(9): p. 1402-1414.

Selected Publications on coupled dislocations, interfaces, and phonons

  1. Y. Li, Z. Zheng, A. Diaz, S.R. Phillpot, D.L. McDowell, Y. Chen, Resonant interaction between phonons and PbTe/PbSe (001) misfit dislocation networks, Acta Materialia, 237 (2022) 118143.
  2. Y. Li, A. Diaz, X. Chen, D.L. McDowell, Y. Chen, Interference, scattering, and transmission of acoustic phonons in Si phononic crystals, Acta Materialia, 224 (2022) 117481.
  1. Taormina, Y. Li, S. Phillpot, Y. Chen, Effects of misfit dislocations and dislocation mobility on thermal boundary resistance of PbTe/PbSe interfaces, Computational Materials Science, 235 (2024) 112828.
  2. Bilgili E, Taormina N, Li Y, Diaz A, Phillpot SR, Chen Y (2026). Effect of misfit and threading dislocations on surface energies of PbTe-PbSe interfaces. Scripta Materialia.;277:117251.
  3. J. Sun, Y. Li, Y. Karaaslan, C. Sevik, Y. Chen, Misfit dislocation structure and thermal boundary conductance of GaN/AlN interfaces, Journal of Applied Physics, 130 (2021) 035301.
  4. X. Chen, W. Li, L. Xiong, Y. Li, S. Yang, Z. Zheng, D.L. McDowell, Y. Chen, Ballistic-diffusive Phonon Heat Transport across Grain Boundaries, Acta Materialia, 136 (2017) 355-365.
  5. X. Chen, L. Xiong, D.L. McDowell, Y. Chen, Effects of phonons on mobility of dislocations and dislocation arrays, Scripta Materialia, 137 (2017) 22-26.

Selected publications on epitaxy

  1. Li, Y. Zheng, Z., Diaz, A., Phillpot, S., McDowell, DL, and Chen, Y., Resonant interaction between phonons and PbTe/PbSe (001) misfit dislocation networks. Acta Materialia 237, 118143.
  2. Bilgili E, Taormina N, Li Y, Diaz A, Phillpot SR, Chen Y (2026). Effect of misfit and threading dislocations on surface energies of PbTe-PbSe interfaces. Scripta Materialia.;277:117251.

Selected publications on machine learned interatomic potentials

  1. Taormina, N., Bilgili, E., Gibson, J., Hennig, R., Phillpot, S. R., & Chen, Y. (2026). Machine-learning interatomic potential for AlN for epitaxial simulation. Computational Materials Science, 263, 114473.
  2. Bilgili, E., Taormina, N., Hennig,R., Phillpot,S. and Chen Y., Machine-Learned Interatomic Potential for predictive simulation of MoS₂ Epitaxy, Physical Review Materials