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WVU Computational Materials Science Lab
Dr. Terence Musho, P.E. - Department of Mechanical, Materials & Aerospace Engineering

Research

  1. Multi-scale Electrical and Thermal Transport
    1. Uses first-principles modeling (Density Functional Theory and Non-equilibrium Green's Functions) to connect atomic-level physics with macroscopic transport:
      • Calculates electronic structure with DFT to reveal material behavior at the atomic scale.
      • Applies NEGF to study electrical and thermal conductivity under non-equilibrium conditions, bridging quantum to continuum scales.
  2. Spin-based Quantum Materials
    1. Advances the modeling and development of spin-based materials for thermoelectric, quantum computing, communication, and sensing applications:
      • Investigates spintronic systems where electron spin, rather than charge, is used to store and transfer information.
      • Designs devices that harness spin properties for energy conversion, quantum information processing, and advanced sensing.
      • Applies computational materials discovery to identify and optimize single-photon emitting and absorbing materials.
  3. Metal-Organic Framework Materials
    1. Examines transport and electrochemical properties of MOF-based systems:
      • Investigates how metal-organic frameworks, composed of metal ions and organic linkers, enable ion and molecule transport.
      • Studies their electrochemical behavior for potential use in batteries, supercapacitors, and gas storage technologies.
  4. Microwave Induced Plasma Chemistries
    1. Uses microwave energy to drive novel metallurgical processes:
      • Explores plasma-assisted refining and purification of metals, with applications such as e-waste recycling.
    2. Develops models for thermionic energy conversion devices:
      • Analyzes devices that convert heat directly into electricity through thermionic emission.
    3. Advances methods for determining complex dielectric properties of heterogeneous material mixtures:
      • Applies multiphysics modeling to create digital twins of dielectric test systems, enabling accurate prediction of permittivity and permeability as a function of temperature.
  5. Materials in Extreme Environments
    1. Models the long-term performance of high-temperature materials:
      • Uses physics-based models to predict creep-fatigue behavior under high stress and temperature.
      • Supports the design of durable materials for aerospace, power generation, and other demanding applications.
    2. Studies materials for geothermal systems:
      • Examines performance under high temperature and corrosive conditions typical of geothermal environments.
      • Seeks to improve efficiency and lifespan of geothermal power technologies.
    3. Explores new battery architectures for high-energy environments:
      • Focuses on materials for energy conversion at elevated temperatures, with emphasis on performance modeling and degradation mechanisms.
  6. Multiphysics Finite Element Analysis
    1. Develops and applies advanced multiphysics simulation tools:
      • Integrates coupled phenomena such as thermal, structural, radio frequency, and chemical processes into unified FEA frameworks.
      • Applies these tools to address complex engineering challenges, guiding the design and optimization of materials and systems across industries.

Sponsors

arpa-e changing what's possible logo  NSF logo      U.S. Department of Energy logo

NREL Logo          NETL Logo DARPA Logo

            American Made Geothermal Prize        NAVY SBIR STTR NSF I-Corp Logo
DOE EERE Logo