Skip to content

Publications

Book chapters

  1. Shuozhi Xu, Ji Rigelesaiyin, Liming Xiong, Youping Chen, David L. McDowell. Generalized continua concepts in coarse-graining atomistic simulations, in Generalized Models and Non-Classical Approaches in Complex Materials 2 (ed: Holm Altenbach, Joël Pouget, Martine Rousseau, Bernard Collet, Thomas Michelitsch), Switzerland: Springer International Publishing, 2018
  2. Adrian Diaz, David McDowell, Youping Chen. The limitations and successes of concurrent dynamic multiscale modeling methods at the mesoscale, in Generalized Models and Non-Classical Approaches in Complex Materials 2 (ed: Holm Altenbach, Joël Pouget, Martine Rousseau, Bernard Collet, Thomas Michelitsch), Switzerland: Springer International Publishing, 2018
  3. Shengfeng Yang, Youping Chen. Concurrent atomistic-continuum simulation of defects in polyatomic ionic materials, in Multiscale Materials Modeling for Nanomechanics ed: Christopher R. Weinberger, Garritt J. Tucker, Switzerland: Springer International Publishing, 2016
  4. Liming Xiong, Qian Deng, Youping Chen. Coarse-grained atomistic simulations of dislocations and fracture in metallic materials, in Handbook of Micromechanics and Nanomechanics (ed: Shaofan Li, Xin-Lin Gao), Singapore: Pan Stanford Publishing, 2013
  5. Youping Chen, James D. Lee, Yajie Lei, Liming Xiong. A multiscale field theory: Nano/micro materials, in Multiscaling in Molecular and Continuum Mechanics: Interaction of Time and Size from Macro to Nano (ed: G. C. Sih), Netherlands: Springer, 2007

Dissertations and theses

  1. Xiang Chen. A concurrent atomistic-continuum study of phonon transport in crystalline materials with microstructures, Ph.D. Dissertation, University of Florida, 2016
  2. Shuozhi Xu. The concurrent atomistic-continuum method: Advancements and applications in plasticity of face-centered cubic metals, Ph.D. Dissertation, Georgia Institute of Technology, 2016
  3. Shengfeng Yang. A concurrent atomistic-continuum method for simulating defects in ionic materials, Ph.D. Dissertation, University of Florida, 2014
  4. Qian Deng. Coarse-graining atomistic dynamics of fracture by finite element method: Formulation, parallelization and applications, Ph.D. Dissertation, University of Florida, 2011
  5. Liming Xiong. A concurrent atomistic-continuum methodology and its applications, Ph.D. Dissertation, University of Florida, 2011

Peer-reviewed journal articles on CAC simulations

(by acceptance date)

  1. Shuozhi Xu, Lauren Smith, Jaber R. Mianroodi, Abigail Hunter, Bob Svendsen, Irene J. Beyerlein. A comparison of different continuum approaches in modeling mixed-type dislocations in Al, Modelling Simul. Mater. Sci. Eng. 27 (2019) 074004
  2. Shuozhi Xu David L. McDowell, Irene J. Beyerlein. Sequential obstacle interactions with dislocations in a planar array, Acta. Mater. 174 (2019) 160-172
  3. Yang Li, Zhaochuan Fan, Weixuan Li, David L. McDowell, Youping Chen. A multiscale study of misfit dislocations in PbTe/PbSe(001) heteroepitaxy, J. Mater. Res. 34 (2019) 2306-2314
  4. Yang Li, Weixuan Li, Xiang Chen, Adrian Diaz, David L. McDowell, Youping Chen. Phonon spectrum and phonon focusing in coarse-grained atomistic simulations, Comput. Mater. Sci. 162 (2019) 21-32
  5. Shuozhi Xu, Marat I. Latypov, Yanqing Su. Concurrent atomistic-continuum simulations of uniaxial compression of gold nano/submicropillars, Philos. Mag. Lett. 98 (2018) 173-182
  6. Shuozhi Xu. Modelling plastic deformation of nano/submicron-sized tungsten pillars under compression: A coarse-grained atomistic approach, Int. J. Multiscale Comput. Eng. 16 (2018) 367-376
  7. Shuozhi Xu, Thomas G. Payne, Hao Chen, Yongchao Liu, Liming Xiong, Youping Chen, David L. McDowell. PyCAC: The concurrent atomistic-continuum simulation environment, J. Mater. Res. 33 (2018) 857-871
  8. Hao Chen, Shuozhi Xu, Weixuan Li, Ji Rigelesaiyin, Thanh Phan, Liming Xiong. A spatial decomposition parallel algorithm for a concurrent atomistic-continuum simulator and its preliminary applications, Comput. Mater. Sci. 144 (2018) 1-10
  9. Xiang Chen, Adrian Diaz, Liming Xiong, David L. McDowell, Youping Chen. Passing waves from atomistic to continuum, J. Comput. Phys. 354 (2018) 393-402
  10. Xiang Chen, Weixuan Li, Adrian Diaz, Yang Li, Youping Chen, David L. McDowell. Recent progress in the concurrent atomistic-continuum method and its application in phonon transport, MRS Comm. 7 (2017) 785-797
  11. Xiang Chen, Weixuan Li, Liming Xiong, Yang Li, Shengfeng Yang, Zexi Zheng, David L. McDowell, Youping Chen. Ballistic-diffusive phonon heat transport across grain boundaries, Acta Mater. 136 (2017) 355-365
  12. Xiang Chen, Liming Xiong, David L. McDowell, Youping Chen. Effects of phonons on mobility of dislocations and dislocation arrays, Scr. Mater. 137 (2017) 22-26
  13. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell. Validation of the concurrent atomistic-continuum method on screw dislocation/stacking fault interactions, Crystals 7 (2017) 120
  14. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell. Comparing EAM potentials to model slip transfer of sequential mixed character dislocations across two symmetric tilt grain boundaries in Ni, JOM 69 (2017) 814-821
  15. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell. Shear stress- and line length-dependent screw dislocation cross-slip in FCC Ni, Acta Mater. 122 2017 412-419
  16. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell. An analysis of key characteristics of the Frank-Read source process in FCC metals, J. Mech. Phys. Solids 96 2016 460-476
  17. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell. Edge dislocations bowing out from a row of collinear obstacles in Al, Scr. Mater. 123 2016 135-139
  18. Shuozhi Xu, Liming Xiong, Qian Deng, David L. McDowell. Mesh refinement schemes for the concurrent atomistic-continuum method, Int. J. Solids Struct. 90 2016 144-152
  19. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell. Sequential slip transfer of mixed character dislocations across \Sigma 3 coherent twin boundary in FCC metals: A concurrent atomistic-continuum study, npj Comput. Mater. 2 2016 15016
  20. Liming Xiong, Ji Rigelesaiyin, Xiang Chen, Shuozhi Xu, David L. McDowell, Youping Chen. Coarse-grained elastodynamics of fast moving dislocations, Acta Mater. 104 2016 143-155
  21. Shengfeng Yang, Ning Zhang, Youping Chen. Concurrent atomistic-continuum simulation of polycrystalline strontium titanate, Philos. Mag. 95 2015 2697-2716
  22. Shuozhi Xu, Rui Che, Liming Xiong, Youping Chen, David L. McDowell. A quasistatic implementation of the concurrent atomistic-continuum method for FCC crystals, Int. J. Plast. 72 2015 91–126
  23. Shengfeng Yang, Youping Chen. Concurrent atomistic and continuum simulation of bi-crystal strontium titanate with tilt grain boundary, Proc. R. Soc. A 471 2015 20140758
  24. Liming Xiong, Shuozhi Xu, David L. McDowell, Youping Chen. Concurrent atomistic-continuum simulations of dislocation-void interactions in fcc crystals, Int. J. Plast. 65 2015 33-42
  25. Liming Xiong, Xiang Chen, Ning Zhang, David L. McDowell, Youping Chen. Prediction of phonon properties of 1D polyatomic systems using concurrent atomistic-continuum simulation, Arch. Appl. Mech. 84 2014 1665-1675
  26. Liming Xiong, David L. McDowell, Youping Chen. Sub-THz Phonon drag on dislocations by coarse-grained atomistic simulations, Int. J. Plast. 55 2014 268-278
  27. Qian Deng, Youping Chen, A coarse-grained atomistic method for 3D dynamic fracture simulation, Int. J. Multiscale Comput. Eng. 11 2013 227-237
  28. Shengfeng Yang, Liming Xiong, Qian Deng, Youping Chen. Concurrent atomistic and continuum simulation of strontium titanate, Acta Mater. 61 2013 89–102
  29. Liming Xiong, David L. McDowell, Youping Chen. Nucleation and growth of dislocation loops in Cu, Al and Si by a concurrent atomistic-continuum method, Scr. Mater. 67 2012 633–636
  30. Liming Xiong, Qian Deng, Garritt Tucker, David L. McDowell, Youping Chen. Coarse-grained atomistic simulations of dislocations in Al, Ni and Cu crystals, Int. J. Plast. 38 2012 86–101
  31. Liming Xiong, Youping Chen. Coarse-grained atomistic modeling and simulation of inelastic material behavior, Acta Mech. Solida Sin. 25 (2012) 244-261
  32. Liming Xiong, Qian Deng, Garritt Tucker, David L. McDowell, Youping Chen. A concurrent scheme for passing dislocations from atomistic to continuum domains, Acta Mater. 60 2012 899-913
  33. Liming Xiong, Garritt Tucker, David L. McDowell, Youping Chen. Coarse-grained atomistic simulation of dislocations, J. Mech. Phys. Solids 59 2011 160-177
  34. Qian Deng, Liming Xiong, Youping Chen. Coarse-graining atomistic dynamics of brittle fracture by finite element method, Int. J. Plast. 26 2010 1402-1414

Peer-reviewed journal articles on the theoretical foundations of CAC

(by acceptance date):

  1. Youping Chen. The origin of the distinction between microscopic formulas for stress and Cauchy stress, Europhys. Lett. 116 (2016) 34003
  2. Youping Chen and Adrian Diaz. Local momentum and heat fluxes in transient transport processes and inhomogeneous systems, Phys. Rev. E 94 (2016) 053309
  3. Youping Chen, Jonathan Zimmerman, Anton Krivtsov, David L. McDowell. Assessment of atomistic coarse-graining methods, Int. J. Eng. Sci. 49 (2011) 1337-1349
  4. Youping Chen. Reformulation of microscopic balance equations for multiscale materials modeling, J. Chem. Phys. 130 (2009) 134706
  5. Youping Chen, James Lee, Liming Xiong. A generalized continuum theory and its relation to micromorphic theory, J. Eng. Mech. 135 (2009) 149-155
  6. Youping Chen. Local stress and heat flux in atomistic systems involving three-body forces, J. Chem. Phys. 124 (2006) 054113
  7. Youping Chen, James Lee. Conservation laws at nano/micro scales, J. Mech. Mater. Struct. 1 (2006) 681-704
  8. Youping Chen, James Lee, Liming Xiong. Stresses and strains at nano/micro scales, J. Mech. Mater. Struct. 1 (2006) 705-723
  9. Youping Chen, James Lee. Atomistic formulation of a multiscale theory for nano/micro physics, Philos. Mag. 85 (2005) 4095-4126
  10. Youpig Chen, James D. Lee, Azim Eskandarian. Micropolar theory and its applications to mesoscopic and microscopic problems, Comput. Modeling Eng. Sci. 5 (2004) 35-43
  11. Youpig Chen, James D. Lee, Azim Eskandarian, Atomistic counterpart of micromorphic theory, Acta Mech. 161 (2003) 81-102