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Zhijie

Zhijie Xu

Computational Mathematics
Mechanical Engineer
Pacific Northwest National Laboratory
PO Box 999
MSIN: K7-90
Richland, WA 99352

Biography

Dr. Xu got his Ph.D in Mechanical Engineering at RPI, NY. His Ph.D research involves the development of large-scale parallel simulation tools for multi-scale (atomistic to continuum) modeling for aluminum alloys. Dr. Xu worked at Idaho National Lab (INL) since 2007 and was involved in modeling and simulation for subsurface strongly coupled multi-physical processes including flow, reactive transport,and geomechanics. He joined PNNL in 2010.

Research Interests

  • Computational Geomechanics, Nanomechanics & Fluid Mechanics
  • Computational Materials and Multiscale Modeling
  • High Performance Computing
  • Computational Modeling Methods: Finite Element, Finite Difference, Interface Tracking, Meshless Computational Methods, Discrete Element Method (DEM), Smoothed Particle Hydrodynamics (SPH), Coarse-grain Dissipative Particle Dynamics (DPD), Dislocation Dynamics, Molecular Dynamics (MD), Monte Carlo (MC), and Nudged Elastic Band (NEB).

Education and Credentials

  • Rensselaer Polytechnic Institute, Ph.D., Mechanical Engineering
  • Rensselaer Polytechnic Institute, M.S., Computational Mechanics
  • National University of Singapore, M.Eng., Civil Engineering

Affiliations and Professional Service

  • Member, Institute of Physics (IOP)
  • Member, American Physical Society (APS)
  • Member, Materials Research Society (MRS)
  • Member, American Geophysical Union (AGU)

Awards and Recognitions

  • Senior Member, Institute of Electrical and Electronics Engineers

PNNL Publications

2018

  • Wang C., Z. Xu, C. Lai, and X. Sun. 2018. "Beyond the Standard Two-Film Theory: Computational Fluid Dynamics Simulations for Carbon Dioxide Capture in a Wetted Wall Column." Chemical Engineering Science 184. PNNL-SA-130465. doi:10.1016/j.ces.2018.03.021
  • Wang C., Z. Xu, C. Lai, G.A. Whyatt, P. Marcy, and X. Sun. 2018. "Hierarchical Calibration and Validation Framework of Bench-scale Computational Fluid Dynamics Simulations for Solvent-based Carbon Capture: Part 2. Chemical Absorption across a Wetted Wall Column." Greenhouse Gases: Science and Technology 8, no. 1:150-160. PNNL-SA-126976. doi:10.1002/ghg.1727

2017

  • Koeppel B.J., C. Lai, A. Iyengar, Z. Xu, C. Wang, and G.A. Hackett. 2017. "Use of a Reduced Order Model (ROM) to Simulate SOFC Performance in System Models." ECS Transactions 78, no. 1:2595-2605. PNNL-SA-125147. doi:10.1149/07801.2595ecst
  • Lai C., Z. Xu, T. Li, A. Lee, J. Dietiker, W. Lane, and X. Sun. 2017. "Effects of Heat Exchanger Tubes on Hydrodynamics and CO2 Capture of a Sorbent-based Fluidized Bed Reactor." Powder Technology 322. PNNL-SA-124598. doi:10.1016/j.powtec.2017.07.062
  • Wang C., Z. Xu, C. Lai, G.A. Whyatt, P. Marcy, and X. Sun. 2017. "Hierarchical Calibration and Validation for Modeling Bench-scale Solvent-based Carbon Capture: Part 1. Non-reactive Physical Mass Transfer across the Wetted Wall Column." Greenhouse Gases: Science and Technology 7, no. 4:706-720. PNNL-SA-122798. doi:10.1002/ghg.1682
  • Xu Z., and A.M. Tartakovsky. 2017. "Method of model reduction and multifidelity models for solute transport in random layered porous media." Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics 96, no. 3:Article No. 033314. PNNL-SA-119187. doi:10.1103/PhysRevE.96.033314
  • Xu Z., C. Lai, P. Marcy, J. Dietiker, T. Li, A. Sarkar, and X. Sun. 2017. "Predicting the Performance Uncertainty of a 1-MW Pilot-scale Carbon Capture System after Hierarchical Laboratory-scale Calibration and Validation." Powder Technology 312. PNNL-SA-116536. doi:10.1016/j.powtec.2017.02.027

2016

  • Devaraj A., V. Murugesan, J. Bao, M.F. Guo, M.A. Derewinski, Z. Xu, and M.J. Gray, et al. 2016. "Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts." Scientific Reports 6. PNNL-SA-113562. doi:10.1038/srep37586
  • Hu S.Y., D. Burkes, C.A. Lavender, D.J. Senor, W. Setyawan, and Z. Xu. 2016. "Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation." Journal of Nuclear Materials 479. PNNL-SA-112981. doi:10.1016/j.jnucmat.2016.07.012
  • Lai C., Z. Xu, W. Pan, X. Sun, C. Storlie, P. Marcy, and J. Dietiker, et al. 2016. "Hierarchical Calibration and Validation of Computational Fluid Dynamics Models for Solid Sorbent-based Carbon Capture." Powder Technology 288. PNNL-SA-109114. doi:10.1016/j.powtec.2015.11.021
  • Soulami A., Z. Xu, V.V. Joshi, D. Burkes, C.A. Lavender, and E.J. McGarrah. 2016. U-10Mo/Zr Interface Modeling using a Microstructure-Based FEM Approach. PNNL-25365. Richland, WA: Pacific Northwest National Laboratory.
  • Wang C., Z. Xu, C. Lai, G.A. Whyatt, P. Marcy, J.R. Gattiker, and X. Sun. 2016. PNNL Report on the Development of Bench-scale CFD Simulations for Gas Absorption across a Wetted Wall Column. PNNL-25179. Richland, WA: Pacific Northwest National Laboratory.
  • Xu Z., V.V. Joshi, S.Y. Hu, D.M. Paxton, C.A. Lavender, and D. Burkes. 2016. "Modeling the Homogenization Kinetics of As-Cast U-10wt% Mo alloys." Journal of Nuclear Materials 471. PNNL-SA-113656. doi:10.1016/j.jnucmat.2015.11.026

2015

  • Bao J., Z. Xu, and Y. Fang. 2015. "A coupled discrete element and finite element model for multiscale simulation of geological carbon sequestration." Greenhouse Gases: Science and Technology 5, no. 4:474-486. PNNL-SA-96622. doi:10.1002/ghg.1491
  • Bao J., Z. Xu, and Y. Fang. 2015. "Uncertainty Quantification for the Reliability of the Analytical Analysis for the Simplified Model of CO2 Geological Sequestration." Greenhouse Gases: Science and Technology 5, no. 1002:141-151. PNNL-SA-100416. doi:10.1002/ghg.1436
  • Chou Y.S., E.V. Stephens, Z. Xu, W. Xu, B.J. Koeppel, and J.W. Stevenson. 2015. Mitigation and Prediction of Spallation of Oxide Scales on Ferritic Stainless Steel. PNNL-24025. Richland, WA: Pacific Northwest National Laboratory.
  • Engel D.W., K.D. Jarman, Z. Xu, B. Zheng, A.M. Tartakovsky, X. Yang, and R. Tipireddy, et al. 2015. UQ Methods for HPDA and Cybersecurity Models, Data, and Use Cases. PNNL-24901. Richland, WA: Pacific Northwest National Laboratory.
  • Madaan N., J. Bao, M.I. Nandasiri, Z. Xu, S. Thevuthasan, and A. Devaraj. 2015. "Impact of Dynamic Specimen Shape Evolution on the Atom Probe Tomography Results of Doped Epitaxial Oxide Multilayers: Comparison of Experiment and Simulation." Applied Physics Letters 107, no. 9:Article No. 091601. PNNL-SA-109596. doi:10.1063/1.4929705
  • Xu Z., D. Li, D.K. Schreiber, K.M. Rosso, and S.M. Bruemmer. 2015. "Modeling Selective Intergranular Oxidation of Binary Alloys." Journal of Chemical Physics 142, no. 1:Article No. 014704. PNNL-SA-105917. doi:10.1063/1.4905226
  • Xu Z., D. Li, W. Xu, A. Devaraj, R.J. Colby, S. Thevuthasan, and B.P. Geiser, et al. 2015. "Simulation of Heterogeneous Atom Probe Tip Shapes Evolution during Field Evaporation Using a Level Set Method and Different Evaporation Models." Computer Physics Communications 189. PNNL-SA-102867. doi:10.1016/j.cpc.2014.12.016

2014

  • Bao J., Y. Chu, Z. Xu, A.M. Tartakovsky, and Y. Fang. 2014. "Uncertainty quantification for the impact of injection rate fluctuation on the geomechanical response of geological carbon sequestration." International Journal of Greenhouse Gas Control 20. PNNL-SA-93937. doi:10.1016/j.ijggc.2013.10.023
  • Bao J., Z. Xu, and Y. Fang. 2014. "A Finite-Element Model for Simulation of Carbon Dioxide Sequestration." Environmental Geotechnics 1, no. 3:152-160. PNNL-SA-88505. doi:10.1680/envgeo.13.00024
  • Lin G., J. Bao, and Z. Xu. 2014. "A three-dimensional phase field model coupled with lattice kinetics solver for modeling crystal growth in furnaces with accelerated crucible rotation and traveling magnetic field." Computers & Fluids 103. PNNL-SA-98927. doi:10.1016/j.compfluid.2014.07.027
  • Lin G., J. Bao, Z. Xu, A.M. Tartakovsky, and C.H. Henager. 2014. "A phase-field model coupled with lattice kinetics solver for modeling crystal growth in furnaces." Communications in Computational Physics 15, no. 1:76-92. PNNL-SA-89043. doi:10.4208/cicp.300612.210313a
  • Xu Z., R. Diao, S. Lu, J. Lian, and Y. Zhang. 2014. "Modeling of Electric Water Heaters for Demand Response: A Baseline PDE Model." IEEE Transactions on Smart Grid 5, no. 5:2203-2210. PNNL-SA-95788. doi:10.1109/TSG.2014.2317149

2013

  • Bao J., Z. Xu, and Y. Fang. 2013. "A Finite Element Model for Simulation of Carbon Dioxide Sequestration." Environmental Geotechnics 1, no. 3:152-160. PNNL-SA-97945. doi:10.1680/envgeo.13.00024
  • Bao J., Z. Xu, G. Lin, and Y. Fang. 2013. "Evaluating the impact of aquifer layer properties on geomechanical response during CO2 geological sequestration." Computers & Geosciences 54. PNNL-SA-92354. doi:10.1016/j.cageo.2013.01.015
  • Fang Y., B.N. Nguyen, K.C. Carroll, Z. Xu, S.B. Yabusaki, T.D. Scheibe, and A. Bonneville. 2013. "Development of a coupled thermo-hydro-mechanical model in discontinuous media for carbon sequestration." International Journal of Rock Mechanics and Mining Sciences 62. PNNL-SA-88739. doi:10.1016/j.ijrmms.2013.05.002
  • Li D., Z. Xu, and S. Ahzi. 2013. "Dynamic Composition Determination in Heterogeneous Ensembles using Angular Autocorrelation Functions as Signatures." Applied Physics Letters 102, no. 22:Article No. 223701. PNNL-SA-95443. doi:10.1063/1.4809667
  • Xu Z., and P. Meakin. 2013. "Upscaling of Solute Transport in Heterogeneous Media with Non-uniform Flow and Dispersion Fields." Applied Mathematical Modelling 37, no. 18-19:8533-8542. PNNL-SA-97040. doi:10.1016/j.apm.2013.03.070

2012

  • Xu Z. 2012. "A Reduced-Boundary-Function Method for Convective Heat Transfer with Axial Heat Conduction and Viscous Dissipation." Journal of Heat Transfer 134, no. 7:Article No. 071705. PNNL-SA-83415. doi:10.1115/1.4006112
  • Xu Z., A.M. Tartakovsky, and W. Pan. 2012. "Discrete-element model for the interaction between ocean waves and sea ice." Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics 85, no. 1:Article No. 016703. PNNL-SA-81118. doi:10.1103/PhysRevE.85.016703
  • Xu Z., H. Huang, X. Li, and P. Meakin. 2012. "Phase field and level set methods for modeling solute precipitation and/or dissolution." Computer Physics Communications 183, no. 1:15-19. PNNL-SA-82157. doi:10.1016/j.cpc.2011.08.005
  • Xu Z., K.M. Rosso, and S.M. Bruemmer. 2012. "Metal Oxidation Kinetics and the Transition from Thin to Thick Films." Physical Chemistry Chemical Physics. PCCP 14, no. 42:14534-14539. PNNL-SA-87165. doi:10.1039/C2CP42760E
  • Xu Z., X. Sun, and M.A. Khaleel. 2012. "A Generalized Kinetic Model for Heterogeneous Gas-Solid Reactions." Journal of Chemical Physics 137, no. 7:Article No. 074702. PNNL-SA-88486. doi:10.1063/1.4740242
  • Xu Z., Y. Fang, T.D. Scheibe, and A. Bonneville. 2012. "A fluid pressure and deformation analysis for geological sequestration of carbon dioxide." Computers & Geosciences 46. PNNL-SA-82750.
  • Xu Z., Y. Fang, T.D. Scheibe, and A. Bonneville. 2012. "A Hydro-mechanical Model and Analytical Solutions for Geomechanical Modeling of Carbon Dioxide Geological Sequestration." In Energy Technology 2012: Carbon Dioxide Management and Other Technologies, edited by MD Salazar-Villalpando, et al. Hoboken, New Jersey:John Wiley & Sons, Inc. PNNL-SA-85371.

2011

  • Xu Z., and P. Meakin. 2011. "Phase-field modeling of two-dimensional solute precipitation/dissolution: Solid fingers and diffusion-limited precipitation." Journal of Chemical Physics 134, no. 4:044137. PNNL-SA-75534. doi:10.1063/1.3537973
  • Xu Z., K.M. Rosso, and S.M. Bruemmer. 2011. "A Generalized Mathematical Framework for Thermal Oxidation Kinetics." Journal of Chemical Physics 135, no. 2:Article No. 024108. PNNL-SA-78995. doi:10.1063/1.3607984
  • Xu Z., P. Meakin, A.M. Tartakovsky, and T.D. Scheibe. 2011. "Dissipative-particle-dynamics model of biofilm growth." Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 83, no. 6:Article No. 066702. PNNL-SA-75521. doi:10.1103/PhysRevE.83.066702

2009

  • Xu Z., P. Meakin, and A.M. Tartakovsky. 2009. "Diffuse-interface model for smoothed particle hydrodynamics." Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 79, no. 3:Art. No. 036702. PNNL-SA-64528.

2007

  • Meakin P., A.M. Tartakovsky, T.D. Scheibe, D.M. Tartakovsky, G. Redden, P.E. Long, and S.C. Brooks, et al. 2007. "Particle methods for simulation of subsurface multiphase fluid flow and biogeological processes." Journal of Physics: Conference Series 78, no. 1:Article No. 012047. PNNL-SA-55963. doi:10.1088/1742-6596/78/1/012047

Selected Publications

2010

  • Patents:  Claude Zeller, Bertrand Haas, and Zhijie Xu, "Copy Detection System Using Correlations of Copy Detection Patterns." Patent Number: 7787152.

2009

  • Book Chapters: Tartakovsky AM, Z Xu, and P Meaki. 2009. "Lagrangian Particle Models for Biological Systems." In: Porous Media: Applications in Biological Systems and Biotechnology. K Vafai, Editor, CRC Press, Taylor & Francis LLC, Boca Raton, Florida.
  • Xu Z, P Meakin, and A Tartakovsky. 2009. "Diffuse-Interface Model for Smoothed Particle Hydrodynamics." Physical Review E 79(3):036702-1-036702-7. DOI:10.1103/PhysRevE.79.036702.
  • Xu Z and P Meakin. 2009. "A Phase Field Approach to No Slip Boundary Conditions in Dissipative Particle Dynamics and Other Particle Models for Fluid Flow in Geometrically Complex Confined Systems." Journal of Chemical Physics 130(23):234103. DOI:10.1063/1.3152634 Selected in the Virtual Journal of Nanoscale Science & Technology 19(26). Reported in Vertical News - A Top News Source Online (July 28 2009).
  • Meakin P and Z Xu. 2009. "Dissipative Particle Dynamics and Other Particle Methods for Multiphase Fluid Flow in Fractured and Porous Media" Progress in Computational Fluid Dynamics 9(6/7):399-408. DOI:10.1504/PCFD.2009.027371.

2008

  • Xu Z and P Meakin. 2008. "Phase-Field Modeling of Solute Precipitation and Dissolution at Solid-Fluid Interface." Journal of Chemical Physics 129(1):014705.
  • Picu RC, R Li, and Z Xu. 2008. "Strain Rate Sensitivity of Thermally Activated Dislocation Motion Across Fields of Obstacles of Different Kind." Materials Science and Engineering A 502(1-2):164-171.

2007

  • Xu Z and RC Picu. 2007. "Effect of Residual and Pre-Existing Solute Cluster on the Dynamic Strain Aging in Dilute Solid Solutions." Modelling and Simulation in Materials Science and Engineering 15(5):385-396.
  • Xu Z and RC Picu. 2007. "Thermally Activated Motion of Dislocations in a Field of Point Obstacles: Effect of Obstacle Distribution." Physical Review B 76(9):094112. DOI:10.1103/PhysRevB.76.094112.
  • Meakin P, A Tartakovsky, T Scheibe, D Tartakovsky, G Redden, P E Long, S C Brooks, and Z Xu. 2007. "Particle Methods for Simulation of Subsurface Multiphase Fluid Flow and Biogeological Processes." Journal of Physics: Conference Series 78:012047.
  • Picu RC and Z Xu. 2007. "Vacancy Concentration in Al-Mg Solid Solutions." Scripta Materialia 57(1):45-48. DOI: 10.1016/j.scriptamat.2007.03.014.

2006

  • Xu Z, KK Ang, and Q Wang. 2006. "A Study of Interaction Between Embedded SMA Fibers and Host Material." Mechanics of Advanced Materials and Structures 13(1):33-42. DOI: 10.1080/15376490500343758.

  • Xu Z and RC Picu. 2006. "Dislocation-Solute Cluster Interaction in Al-Mg Binary Alloys." Modelling and Simulation in Materials Science and Engineering 14:195-206.
  • Xu Z, LG Zhou, J Wang, T Cale, and H Huang. 2006. "Three-Dimensional Ehrlich-Schwoebel Diffusion Barriers of Tungsten." Computers, Materials & Continua 5:43-48.

2004

  • Xu Z, RC Picu, and J Fish. 2004. "Higher Order Continuum Wave Equation Calibrated on Lattice Dynamics." International Journal of Computational Engineering Science 5:557-573.

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