Publications

Google Scholar: https://scholar.google.com/citations?user=HLD1CWIAAAAJ&hl=en

( _ denote graduate students, * denote corresponding author)

Peer-Reviewed Journal Publications

2021

39. X. Yang*, J. Cui, K. Xue, Y. Fu, H. Li, “Thermal conductivity and thermoelectric properties in 3D macroscopic pure carbon nanotube materials”, International Journal of Thermal Sciences 172 (2021), 107273.

38. B. Gnanasekaran, J. Song*, V. Vasudevan, Y. Fu*, “Corrosion Fatigue Characteristics of 316L Stainless Steel Fabricated by Laser Powder Bed Fusion”, Metals 11 (2021), 1046.

37. M. Ma, Y. Fu*, “Electromechanical Response of Lamellar Forming Ionic Diblock Copolymer Thin Films”, Chemical Physics Letter 778 (2021) 138817.

36. X. Yang*, J. Cui, K. Xue, Y. Fu, H. Li, “Thermal conductivity and thermoelectric properties in 3D macroscopic pure carbon nanotube materials”, Nanotechnology Reviews10 (2021) 178-186.

2020

35. M. Ma, Y. Fu, “A Molecular Dynamics Study of the Mechanical Properties of Ionic Copolymers during Tension-Recovery Deformation”, Macromolecular Theory and Simulations, 2000081 (2020) https://doi.org/10.1002/mats.202000081.

34. X. Yang*, X. Wang, L. Gao, Y. Fu*, Z. Huang, Q. Xie, “Atomic-scale Insights into Interface Thermal Resistance between Epoxy and Boron Nitride in Nanocomposite”, International Journal of Heat Mass Transfer, 159 (2020) 120105.

33. T. Donkor, J. Song*, Y. Fu, M. Kattoura, S. R. Mannava, M. A. Steiner, and V. K. Vasudevan*, “Accelerated g-FCC to e-HCP Massive Transformation in a Laser Powder Bed Fusion Additively Manufactured Co-29Cr-5Mo Alloy”, Scripta Materialia, 179 (2020) 65-69.

2019

32. Qinan Li, B. Gnanasekaran, Y. Fu*, G.R. Liu*, “Prediction of Thermal Residual Stress and Microstructure of Additive Manufacturing Processes of Direct Laser Metal Deposition via a Coupled Finite Element and Multiphase Field Framework”, JOM 72 (2019) 496–508.

31. B. Gnanasekaran*, G.R. Liu, Y. Fu, G. Wang, W, Niu, T. Lin, ” A Smoothed Particle Hydrodynamics (SPH) Procedure for Simulating Cold Spray Process – a study using particles”, Surface and Coating Technology 377 (2019) 124812.

30. M. Ma, Y. Fu*, “Structural and Mechanical Properties of Ionic Polymers via a Molecular Dynamics Approach”, Polymers 11 (2019) 1546.

2018

29. X. Yang*, Y. Wan, X. Wang, Y. Fu*, Z. Huang, Q. Xie, “Molecular Dynamics Studies of the Mechanical Behaviors and Thermal Conductivity of the DGEBA/MTHPA/CNB Composites”, Composites Part B 164 (2018) 659-666.

28. J. Song*, R. Field, A. Clarke, Y. Fu*, M. Kaufman, “Variant Selection of Intragranular Ni2(Mo,Cr) Precipitates in the Ni-Mo-Cr-W alloy”, Acta Materialia 165 (2019) 362-372.

27. Y. Fu*, J. Michopoulos, B. Gnanasekaran, “Microstructure Evolution under Isothermal and Continuous Cooling Condition via a Combined Multiphase Field and Nucleation Approach”, Computational Materials Science 155 (2018) 457-465.

2017

26. V. Bocharova*, Z. Wojnarowska, P. Cao, Y. Fu, R. Kumar, V. N. Novikov, S. Zhao, A. Kisliuk, T. Saito, J. W. Mays, A. P. Sokolov. “The Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids”, The Journal of Physical Chemistry B 121 (2017) 11511-11519

25. J.H. Song*, Y. Fu, T.-Y. Kim, Y.-C. Yoon, J. Michopoulos and T. Rabczuk. “Phase field simulations of coupled microstructure solidification problems via the strong form particle difference method”, International Journal of Mechanics and Materials in Design, 14 (2018) 491-509.

24. Y. Fu, V. Bocharova, M. Ma, A. P. Sokolov, B. G. Sumpter, and R. Kumar*. “Effects of counterion size and backbone rigidity on dynamics of ionic polymer melts and glasses”, Physical Chemistry Chemical Physics, 19 (2017) 27442-27451

23. Z. Wojnarowska*, H. Feng, Y. Fu, S. Cheng, B. Carroll, R. Kumar, V. N. Novikov, A. M. Kisliuk, T. Saito, N-G Kang, J. W. Mays, A. P. Sokolov, and V. Bocharova. “Effect of chain rigidity on the decoupling of ion motion from segmental relaxation in polymerized ionic liquids: ambient and elevated pressure studies”, Macromolecules, 50 (2017) 6710–6721.

22. Y. Fu, and J. H. Song*. “Solidification of nano-crystals: bridging the multi-phase field model with molecular dynamics simulations”, Journal of Computational Science, 20 (2017) 187-197.

21. Y. Fu*, J. Michopoulos and J.H. Song*. “Estimating thermomechanical properties of crosslinked epoxy via molecular dynamics analysis”, Nanoscale and Microscale Thermophysical Engineering, 21 (2017) 8-25.

Prior to Virginia Tech and University of Cincinnati

20. X. Wu*, Y. Fu, W. Ke, S. Xu, B. Feng, B. Hu, J. Lu. “Corrosion behavior of high nitrogen austenitic stainless steels”, Journal of Chinese Society for Corrosion and Protection, 36 (2016) 197-204.

19. K. C. Hoang, Y. Fu, and J. H. Song*. “An hp-proper orthogonal decomposition-moving least squares approach for molecular dynamics simulation”, Computer Methods in Applied Mechanics and Engineering, 298 (2015) 548-575.

18. Y. Fu*, J. Michopoulos and J.H. Song*. “Dynamic response of glassy polyethylene polymer nanocomposites to shock wave loading”, Journal of Polymer Science Part B: Polymer Physics, 53 (2015) 1292–1302.

17. Y. Fu* and J.H. Song*. “Heat flux expressions that satisfy the conservation laws in atomistic system involving multibody potentials”. Journal of Computational Physics, 294 (2015) 191.

16. Y. Fu*, J. Michopoulos, and J.H. Song*. “Rheological behaviors of cross-linked epoxy resin via coarse-grained molecular dynamics”. Computational Materials Science, 107 (2015) 24.

15. Y. Fu and J.H. Song*. “Large deformation mechanism of glassy polyethylene polymer nanocomposites: coarse grain molecular dynamics study”. Computational Materials Science, 96 (2015) 485.

14. X. Q. Wu*, Y. Fu, W. Ke, S. Xu, B. Feng, B. Hu. “Effects of nitrogen on passivity of nickelfree stainless steels by electrochemical impedance spectroscopy analysis”. Journal of Materials Engineering and Performance, 24 (2015) 3607.

13. Y. Fu* and J.H. Song*. “On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation”. Journal of Chemical Physics, 141 (2014) 054108.

12. Y. Fu and A. C. To*. “A modification to Hardy’s thermomechanical theory that conserves fundamental properties more accurately: tensile and shear failures in iron”. Modelling and Simulation in Materials Science and Engineering, 22 (2014) 015010.

11. Y. Fu and A. C. To*. “A modification to Hardy’s thermomechanical theory that conserves fundamental properties more accurately”. Journal of Applied Physics, 113 (2013) 233505.

10. Y. Fu and A. C. To*. “On the evaluation of continuum thermomechanical quantities using ensemble and time averaging”. Modelling and Simulation in Materials Science and Engineering, 21 (2013) 055015.

9. B. A. Stormer, N. M. Piper, X. M. Yang, J. Tao, Y. Fu, M. Kirca, and A. C. To*. “Mechanical properties of SWNT X-Junctions through molecular dynamics simulation”. International Journal of Smart and Nano Materials, iFirst (2011) 1.

8. Y. Fu, M. Kirca, and A. C. To*. “On determining the thermal state of individual atoms in molecular dynamics simulations of nonequilibrium processes in solids”. Chemical Physics Letters, 506 (2011) 290.

7. A. C. To*, Y. Fu, and W. K. Liu. “Denoising methods for thermomechanical decomposition for quasi-equilibrium molecular dynamics simulations”. Computer Methods in Applied Mechanics and Engineering, 200 (2011) 1979.

6. N. M. Piper, Y. Fu, J. Tao, X. Yang, and A. C. To*. “Vibration promotes heat welding of single-walled carbon nanotubes”. Chemical Physics Letters, 502 (2011) 231.

5. A. Datta, M. Kirca, Y. Fu, and A. C. To*. “Surface structure and properties of functionalized nanodiamonds: a first-principles study”. Nanotechnology, 22 (2011) 065706.

4. Y. Fu, X. Q. Wu*, E. Han, W. Ke, K. Yang, and Z. Jiang. “Effects of cold work and sensitization treatment on corrosion resistance of a high nitrogen stainless steel in chloride solutions”. Electrochimica Acta, 54 (2009) 1618.

3. Y. Fu, X. Q. Wu*, E. Han, W. Ke, K. Yang, and Z. Jiang. “The effects of nitrogen on the passivation of high nitrogen stainless steels in acidic chloride solutions”. Electrochimica Acta, 54 (2009) 4005.

2. X. Q. Wu*, Y. Fu, J. B. Huang, W. Ke, K. Yang, and Z. H. Jiang. “Investigation on pitting corrosion of nickel free and manganese alloyed high nitrogen stainless steels”. Journal of Materials Engineering and Performance, 18 (2009) 287.

1. Y. Fu, X. Q. Wu*, E. Han, W. Ke, K. Yang, and Z. Jiang. “Influence of cold work on pitting corrosion behavior of a high nitrogen stainless steel”. Journal of the Electrochemical Society, 155 (2008) C455.

Chapters in book

  • Y. Fu and A. C. To. Application of many-realization molecular dynamics method to understand the physics of nonequilibrium processes in solids. Multiscale Simulations and Mechanics of Biological Materials, S. Li and D. Qian (Eds.), John Wiley & Sons, pp. 59 76 (2013).
  • Michopoulos, A. Iliopoulos, J. Steuben, A, Birnbaum, J.-H. Song,
    Y. Fu, A. Achuthan, R, Saunders, A. Bagchi, R. Fonda, D. Rowenhorst and S.
    Olig, F. Martin, J. Moran, A. Beckwith, Multiphysics Integrated Computational Materials Engineering Linking Additive Manufacturing Process Parameters with Part Performance, Chapter in “Advances in Computers and Information in Engineering Research”, vol. 2, John G. Michopoulos, David W. Rosen, Christiaan J.J. Paredis, Judy M. Vance Editors, ASME, in print.

Conference proceedings

  • Mengze Ma, Yao Fu. “Investigation of the Mechanical Behavior of Ionic Diblock Copolymer via Molecular Dynamics Simulation”,  Proceedings MS&T18, Columbus, OH (2018).
  • J. G. Michopoulos, A. P. Iliopoulos, J. C. Steuben, A. J. Birnbaum, Y. Fu, and J-H Song. ASME 2017 International Design Engineering Technical Conferences & Computers and Information in Engineering Conference, Cleveland, OH. August 6-9, 2017.
  • A. Datta, Y. Fu, M. Kirca, and A. C. To. Structure and surface properties of nanodiamonds: a first-principles multiscale approach. ASME 2010 First Global Congress on NanoEngineering for Medicine and Biology, Houston, TX. February 7-10, 2010.