Modeling & computational material science

News and Updates

Side-by-side photos show twin brothers posing with arms crossed in lab or office settings.

Spotlight: Two Brothers, One Passion for Mechanical Engineering

September 20, 2022

This is a tale of two brothers who both found a passion for mechanical engineering research, separated to pursue their own interests in graduate school, and

Illustrated cube has crystal framework in gray with red balls interspersed in the open spaces.

To Remove CO₂ From the Atmosphere, Imagine the Possibilities

August 24, 2022

Computer simulation methods from NIST help speed up the search for carbon capture materials.

Race Logic: Novel Circuitry Solves a Myriad of Computationally Intensive Problems With a Minimum of Energy

May 11, 2021

From the branching pattern of leaf veins to the variety of interconnected pathways that spread the coronavirus, nature thrives on networks — grids that link the

Projects and Programs

Measuring Intermolecular Interactions with Electro-Acoustic Spectroscopy

Ongoing

NIST’s Material Measurement Laboratory and Communications Technology Laboratory are developing a new spectroscopy for intermolecular interactions. The team is

Polymer Analytics

Ongoing

The Polymer Analytics project was established with the goal of accelerating the discovery of new polymer physics through the development of datasets, methods

JARVIS-ML

Ongoing

JARVIS-ML is a repository of machine learning (ML) model parameters, descriptors, and ML related input and target data. JARVIS-ML is a part of the NIST-JARVIS

Developing a Materials Innovation Infrastructure

Ongoing

Develop a materials innovation infrastructure for the design and discovery of inorganic materials to reduce the time and cost for deploying new materials into

Publications

A method for pole figure measurements via a dynamic segmented spiral scheme

February 1, 2023

Author(s)

Surya Chandramouleeswaran, Adam Creuziger, Kip Findley

A new method for pole figure measurement is described, titled a dynamic segmented spiral scheme. Compared to schemes currently in use, the dynamically segmented

Does friction contribute to formability improvement using servo press?

January 6, 2023

Author(s)

Dilip K. Banerjee, Kali Prasad, Aishwary Gupta, Hariharan Krishnaswamy, Uday Chakkingal, Myoung-Gyu Lee

Servo press forming machines are advanced forming systems that are capable of imparting interrupted punch motion, resulting in enhanced room temperature

Uncertainties in Swift hardening law parameters and their influence on the flow stress and the hole expansion behavior of dual phase (DP600) steel specimens

January 4, 2023

Author(s)

Dilip K. Banerjee, Kali Prasad, Deepak Kumar, Krishnaswamy Hariharan

Swift hardening law is one of the most widely used phenomenological models to describe flow stress-strain behavior in sheet metal forming simulations. In the

Probing Accelerated Salt-Induced Relaxation Dynamics of Laponite Suspensions Using X-Ray Photon Correlation Spectroscopy Measurements and Molecular Dynamics Simulations

December 22, 2022

Author(s)

Sohaib Mohammed, Meishen Liu, Qingteng Zhang, Suresh Narayanan, Fan Zhang, Greeshma Gadikota

Linking the physics of the relaxation behavior of visco-elastic fluids as they form arrested gel states to the underlying nano-scale structure and energetic

Modeling & computational material science

News and Updates

Spotlight: Two Brothers, One Passion for Mechanical Engineering

To Remove CO₂ From the Atmosphere, Imagine the Possibilities

Race Logic: Novel Circuitry Solves a Myriad of Computationally Intensive Problems With a Minimum of Energy

Projects and Programs

Measuring Intermolecular Interactions with Electro-Acoustic Spectroscopy

Polymer Analytics

JARVIS-ML

Developing a Materials Innovation Infrastructure

Publications

A method for pole figure measurements via a dynamic segmented spiral scheme

Does friction contribute to formability improvement using servo press?

Uncertainties in Swift hardening law parameters and their influence on the flow stress and the hole expansion behavior of dual phase (DP600) steel specimens

Probing Accelerated Salt-Induced Relaxation Dynamics of Laponite Suspensions Using X-Ray Photon Correlation Spectroscopy Measurements and Molecular Dynamics Simulations

Software

GSAS_USE (Bayesian Statistics Approach to Accounting for Unknown Systematic Errors)

NANOP

BBEST Bayesian Estimation of Incoherent Neutron Scattering Backgrounds

RMCPROFILE