Los Alamos National Laboratory

Los Alamos National Laboratory

Delivering science and technology to protect our nation and promote world stability

Physics and Chemistry of Materials

Developing new science and technologies needed for the national security of the United States by understanding how basic forces operating at the atomic level manifest themselves in the properties of matter at the macroscopic level.

  • Molecular docking simulations

    Molecular docking simulations

    The influence of small organic molecules on the operation and mechanism of electron transfer in enzymatic anodes.

  • Molecular docking simulations

    Molecular docking simulations

    The influence of small organic molecules on the operation and mechanism of electron transfer in enzymatic anodes.

  • silver nanowire

    Stretching a silver nanowire at 105 √Ö/s using parallel replica dynamics on the LANL Roadrunner supercomputer

  • physics chemistry

  • physics chemistry

  • physics chemistry

  • physics chemistry

Contact  

  • Deputy Group Leader
  • Sergei Tretiak
  • Email
  • Administrator
  • Andrea L. McLaughlin-Kysar (Andie)
  • Email

Fundamental and applied theoretical research on the physics and chemistry of materials

The Theoretical Division has been a primary component of the Lab since its formation and the pursuit of basic scientific understanding of materials has been it's mission. The Physics and Chemistry of Materials group, also known as T-1, leads that effort.
Projects
  • Development and application of theory and techniques for calculating the electronic properties of molecules, solids, and liquids, atomistic simulations of materials, the dynamics and kinetics of chemical reactions
  • Equation of state and thermodynamics; mechanical properties’ reactive burn and flow, atomic structure and collision theory, catalysis, opacities and the physics of hot and warm dense matter
Research
  • Advanced techniques using quantitative image analysis for applications in material science and surveillance
  • Electronic structure of actinides
  • Equation of state, hydrodynamic analysis, energetic materials, shock physics
  • Thermal and statistical mechanics properties and microscopic, mesoscopic and continuum-level mechanical behavior of materials
Applications
  • Simple metals
  • Transition metals and actinide elements
  • Molecules
  • Alloys and compounds’ radioactive properties of hot dense matter
  • Polymers
  • Organics and energetic materials
  • Theory and technologies for energy security
Databases

Equation-of-State Database

SESAME Library: a data collection of equation of state for about 150 materials simple elements, compounds, metals, minerals, polymers, and mixtures.


Liquid Dynamics


Mechanics of Materials


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