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Thermodynamics

Thermodynamics research at NIST helps our industrial and scientific partners develop more efficient and reliable processes by improving our understanding of how the arrangement of matter and energy impact the properties of physical and chemical systems.

Thermodynamic Data Included in Phase-Based Data Repository

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An essential part of the MGI is the development of phase-based data repository. Phase-based data are important for many applications, including the development of CALPHAD-based multicomponent databases. The phase-based data include zero-dimensional, one-dimensional, two-dimensional, and three-dimensional data. Examples of some of the phase-data included are phase transformation temperatures (e.g. melting, solidus, solvus), lattice parameters, thermal expansion, elastic constants, and diffusion coefficients and compositions profiles. These data are reported as functions of composition, temperature and/or pressure.

This repository consists of three data sources:

  • Curated experimental and computational multicomponent alloy data in support of the development Co-based superalloys. Currently the data are focus on diffusion data and transition temperatures. These data are curated using the NIST Materials Data Curation System. This collection is being developed in conjunction with CHiMaD.
  • Thermodynamic Research Center Data provides access to thermophysical property data with a focus on unary, binary, and ternary metal systems through a free online web application and associated API. All data are from original experimental publications and include full provenance and critically evaluated uncertainty.
  • Self diffusion and impurity diffusion coefficient data (experimental and computational) are searchable via the periodic table.

News

The Big Quantum Chill: NIST Scientists Modify Common Lab Refrigerator to Cool Faster With Less Energy

By modifying a refrigerator commonly used in both research and industry, researchers at the National Institute of Standards and Technology (NIST) have drastically reduced the time and energy required to cool materials to within a few degrees above absolute zero. The scientists say that their prototype device, which they are now working to commercialize with an industrial partner, could annually

Spotlight: The Real-World Applications of Quantum With Julia Scherschligt

NIST Team Demonstrates Novel Way to Convert Heat to Electricity

Sounding Out a New Way to Measure Gas Flow

Projects and Programs

Platform for Realizing Integrated Molecule Experiments (PRIME)

Ongoing
Blackbodies realize a clear relationship between radiated power and temperature through Planck’s law. While a reliable instrument for temperature and power calibrations, blackbodies are afflicted with a plethora of systematics (e.g., non-ideal emissivity, propagation loss, temperature gradients

Reliable Vaccine Storage

Completed
Our group examines best practices for the storage and monitoring of vaccines in partnership with the Centers for Disease Control and Prevention’s (CDC) Vaccine Supply and Assurance Branch. Vaccines are highly temperature sensitive, and inappropriate storage conditions can render them ineffective

NIST Standard Reference Simulation Website

Ongoing
Molecular simulations, in particular Monte Carlo Molecular Simulation and Molecular Dynamics Simulation, are methods for computing the properties of some kind of system, for which the intermolecular interactions are specified via mathematical relationships derived from statistical mechanics. Since

Understanding Protein Solution Phase Behavior via Coarse-Grained Modeling

Ongoing
Intended Impact Because biological systems span a broad range of length and time scales, they cannot be studied effectively using conventional all-atom simulations. While hardware advances represent one route to improving the computational tractability of simulating biological systems, significant