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PROJECTS/PROGRAMS

Software Tools

Structural Metrology of Advanced Manufacturing Processes

Ongoing
Understanding material structures in advanced manufacturing is crucial because it enables precise control over material properties, leading to improved performance, efficiency, and cost-effectiveness in production processes. However, this understanding poses many challenges, such as the
NIST JARVIS

JARVIS-ALIGNN, JARVIS-ALIGNN-FF

Ongoing
ALIGNN uses a line graph neural networks to include bond distances and angular information graph to incorporate finer details of atomic structure, leading to high accuracy models. While the nodes of an atomistic graph correspond to atoms and its edges correspond to bonds, the nodes of an atomistic

Polymer Analytics

Ongoing
This project focuses on a variety of activities to achieve the aforementioned goal of accelerating the discovery of new polymer physics. Polymer databases In collaboration with partners, we build FAIR (findable, accessible, interoperable, reproducible) data resources that enable machine learning

Data-Driven Network Optimization for Future Wireless Systems

Ongoing
Research Highlights AI Innovations in Spectrum Sharing for Wireless Networks With the increasing demand for wireless communication, efficient spectrum management has become essential. NIST is exploring the application of AI/ML techniques to optimize this area, particularly through solutions like
A photo of attendees attending MLMR Bootcamp 2018.

Machine Learning: Educating the Next Generation Materials Workforce

Ongoing
Annual Bootcamp: Machine Learning for Materials Research (MLMR) The fifth annual MLMR met in the summer of 2020 with 180 attendees from 12 countries, 30% of whom were from industry. Over the 5 years of the bootcamp, we have had attendees from a total of 19 countries. We also run tutorials at MRS

Microstructure-Property Tools for Structure-Property Design

Ongoing
Microstructure-level Structure-Property Tools OOF: Finite Element Analysis of Microstructures enables materials scientists calculate macroscopic properties from images of real or simulated microstructures. It reads an image, assigns material properties to features in the image, and conducts virtual

Developing a Materials Innovation Infrastructure

Ongoing
Phase Field Community Hub ( PFHub) and Benchmarks The Phase Field Community Hub provides a framework that supports phase field practitioners and code developers participating in an effort to improve quality assurance for phase field codes. The main thrust of this effort is the generation of a set of
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Computational Design of Photopolymerized Materials

Ongoing
Photopolymerization represents a versatile method that affords rapid and robust manufacturing of polymers and composites. The properties of polymerized materials can be controlled by the chemistry and processing parameters, as well as novel molecular mechanisms. As such, photopolymerization has

NIST Materials-focused Empirical Potentials Repositories and Efforts

Ongoing
SOFT MATTER WebFF: Force-field repository for organic and soft materials Frederick R. Phelan Jr., 1 and Huai Sun 2 1Materials Science and Engineering Division, NIST, Gaithersburg, MD 20899 2Aeon Technology Inc. and School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University
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Cloud of Reproducible Records

Ongoing
Cloud of Reproducible Records (CoRR) CoRR is a Cloud Infrastructure for storing, disseminating, federating and collaborating on Reproducible Record atoms. It is composed of two Python Flask REST web services (Cloud and API), a cloud storage space, a MongoDB database and a Material Design AJAX web

Transport Properties of Complex Particles and Polymers

Ongoing
Our approach is divided into several technical approaches: 1) Precise particle shape specification based on observation, 2) calculation of particle properties and 3) the calculation of the effect of particle shape on the properties of the polymer materials. Our computational webtool ZENO

Advanced Composites Pilot for the Materials Genome Initiative

Ongoing
Overview Polymer Composites Polymer composites are a class of multiphase materials in which a polymer matrix is reinforced with either a fiber or filler phase. They are traditionally valued for their stiffness, high strength to weight ratio, and corrosion resistance. In emerging high-end

High-Precision Structural Measurements

Ongoing
On the instrumental and data processing side, we focus on improving the precision of structural information derived using transmission electron microscopy (TEM). Aberration-corrected scanning TEM enables direct imaging of atomic columns but the precision of column positions extracted from the images
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Materials Design Toolkit

Ongoing
Microstructure evolution can be simulated using the CALPHAD approach and phase based models using thermodynamics software and models. The simulated microstructure is then evaluated by constitutive models and PyMKS. The optimization algorithms use the performance of the alloy to direct the search
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Object Oriented Finite Elements (OOF)

Ongoing
The best and most current information about the OOF software, including current downloads, can be found at the main OOF site. The general workflow of the OOF software begins with a 2D or 3D image. OOF provides tools for maniupating the image to highlight scientifically important features, and to
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OpenCALPHAD

Ongoing
Thermodynamic data are essential for the understanding, developing, and processing of materials. The CALPHAD technique has made it possible to calculate properties of multicomponent systems using databases of thermodynamic descriptions with models that were assessed from experimental data. The OC