Lawrence Livermore National Laboratory



John Moriarty


DegreeDiscipline/InstitutionYear
Ph.D. Applied Physics
Stanford University
1971
B.A. Physics
University of California at Berkeley
1965

Research Interests

Theoretical condensed-matter and materials physics. Electronic structure, quantum-based interatomic potentials, and the atomistic simulation of materials properties. High-pressure physics, structural phase transitions, melting, and equation of state. Defects, mechanical properties, and multiscale materials modeling.

Personal Background

John Moriarty received his A. B. in Physics from the University of California, Berkeley in 1965 and his Ph.D. in Applied Physics from Stanford University in 1971. During his early career, John held postdoctoral research positions at the Los Alamos Scientific Laboratory and the University of Cambridge, and then later academic research and teaching positions at the College of William and Mary and the University of Cincinnati. Since joining LLNL in 1982, he has engaged in high-pressure physics research, including multiphase equations of state, phase transitions and the thermodynamic properties of transition and actinide metals, as well as the multiscale materials modeling of mechanical properties in these materials. In his research, John has developed robust methods to calculate quantum-mechanical interatomic potentials in metals and alloys based on first-principles density functional theory, and he is the principal developer of MGPT (model generalized pseudopotential theory) potentials for large-scale atomistic simulations. John has received two DOE Weapons Recognition of Excellence Awards, one in 1994 for Technical Excellence in Materials Science and another in 2010 for Multiphase Plutonium Equation of State. In 2005 he was elected a Fellow of the American Physical Society, and in 2009 he received an APS award as an Outstanding Referee of APS journals.

Selected Papers

  1. Quantum-Mechanical Interatomic Potentials with Electron Temperature for Strong Coupling Transition Metals, J. A. Moriarty, R. Q. Hood and L. H. Yang, Phys. Rev. Lett. 108, 036401 (2012).
  2. Dislocations in bcc Transition Metals at High Pressure, L. H. Yang, M. Tang and J. A. Moriarty, in Dislocations in Solids, Volume 16, edited by J. P. Hirth and L. Kubin (Elsevier, The Netherlands: North-Holland, 2010), pp. 1-46.
  3. Robust Quantum-Based Interatomic Potentials for Multiscale Modeling in Transition Metals, J. A. Moriarty, L. X. Benedict, J. N. Glosli, R. Q. Hood, D. A. Orlikowski, M. V. Patel, P. Söderlind, F. H. Streitz, M. Tang and L. H. Yang, J. Mater. Research 21, 563 (2006).
  4. Atomistic Simulations of Dislocations and Defects, J. A. Moriarty, V. Vitek, V. V. Bulatov, and S. Yip, J. Computer-Aided Mater. Design 9, 99 (2002).
  5. Quantum-Based Atomistic Simulation of Materials Properties in Transition Metals, J. A. Moriarty, J. F. Belak, R. E. Rudd, P. Söderlind, F. H. Streitz, and L. H. Yang, J. Phys.: Condens. Matter 14, 2825 (2002).
  6. First-Principles Interatomic Potentials for Transition-Metal Aluminides: Theory and Trends across the 3d Series, J. A. Moriarty and M. Widom, Phys. Rev. B 56, 7905 (1997).
  7. First-Principles Interatomic Potentials for Transition-Metal Surfaces, J. A. Moriarty and R. Phillips, Phys. Rev. Lett. 66, 3036 (1991).
  8. Density-Functional Formulation of the Generalized Pseudopotential Theory. III. Transition-Metal Interatomic Potentials, J. A. Moriarty, Phys. Rev. B 38, 3199 (1988).

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