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Search Publications

NIST Authors in Bold

Displaying 26 - 50 of 2107

Connecting Molecular Exchange Dynamics to Stress Relaxation in Phase-Separated Dynamic Covalent Networks

January 22, 2024
Author(s)
Neil Dolinski, Ran Tao, Nicholas Boynton, Anthony Kotula, Charlie Lindberg, Kyle Petersen, Aaron M. Forster, Stuart Rowan
A suite of phase separated dynamic covalent networks based on highly tunable dynamic benzalcyanoacetate (BCA) thia-Michael acceptors are investigated. In situ kinetic studies on small molecule model systems are used in conjunction with macroscopic

Reference Correlations for the Density and Thermal Conductivity, and Review of the Viscosity Measurements, of Liquid Titanium, Zirconium, Hafnium, Vanadium, Niobium, Tantalum, Chromium, Molybdenum, and Tungsten

January 22, 2024
Author(s)
Eleftheria Ntonti, Sofia Sotiriadou, Marc Assael, Marcia L. Huber, Boris Wilthan, Manabu Watanabe
The available experimental data for the density, thermal conductivity, and viscosity of liquid titanium, zirconium, hafnium, vanadium, niobium, tantalum, chromium, molybdenum, and tungsten have been critically examined with the intention of establishing

Toward a Standard Data Architecture for Additive Manufacturing

January 16, 2024
Author(s)
Shengyen Li, Shaw C. Feng, Alexander Kuan, Yan Lu
To advance the additive manufacturing (AM) technologies, R&D projects may evaluate new facilities and different processes that need a scalable data architecture to accommodate the progressing knowledge. This work introduces a data pedigree to enable the

Morphology of Thin-Film Nafion on Carbon as an Analogue of Fuel Cell Catalyst Layers

January 11, 2024
Author(s)
Corey Randall, Lianfeng Zou, Howard Wang, Jingshu Hui, Joaquin Rodriguez-Lopez, Melodie Chen-Glasser, Joseph A. Dura, Steven DeCaluwe
Species transport in thin-film Nafion heavily influences proton exchange membrane (PEMFC) performance, particularly in low-platinum-loaded cells. Literature suggests phase-segregated nano-structures in hydrated Nafion thin films can reduce species mobility

Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (s) Phase in the Co-Cr-Ni-Re System

December 30, 2023
Author(s)
Julio Cesar Pereira Dos Santos, Sean Griesemer, Nathalie Dupin, Ursula R. Kattner, Chuan Liu, Daniela Ivanova, Thomas Hammerschmidt, Suzana Fries, Chris Wolverton, Carelyn E. Campbell
Proper descriptions of Topologically Closed-Packed (TCP) phases in thermodynamic databases are essential to adequately design new alloys. Thus, the recently introduced Effective Bond Energy Formalism (EBEF) is used in this work to describe the sigma (σ)

New NIST Acquisition System for Reading Charpy Machine Encoders

November 13, 2023
Author(s)
Enrico Lucon, John S. Quintavalle, Damian Lauria
A new acquisition system was developed at NIST for reading angle values from the digital encoders of the three Charpy reference machines in Boulder, Colorado. The associated LabView software provides the conversion from encoder angles to absorbed energies

Single-Phase L10-Ordered High Entropy Thin Films with High Magnetic Anisotropy

November 11, 2023
Author(s)
Willie Beeson, Dinesh Bista, Huairuo Zhang, Sergiy Krylyuk, Albert Davydov, Gen Yin, Kai Liu
The vast high entropy alloy (HEA) composition space is promising for discovery of new material phases with unique properties. We explore the potential to achieve high magnetic anisotropy materials in single-phase HEA thin films. Thin films of FeCoNiMnCu

Exploiting redundancy in large materials datasets for efficient machine learning with less data

November 10, 2023
Author(s)
Kamal Choudhary, Brian DeCost, Kangming Li, Daniel "Persaud ", Jason Hattrick-Simpers, Michael Greenwood
Extensive efforts to gather materials data have largely overlooked potential data redundancy. In this study, we present evidence of a significant degree of redundancy across multiple large datasets for various material properties, by revealing that up to

Lattice vibrations and the energy landscape of the isoelectronic semiconductor series CuBr, ZnSe, GaAs, and Ge: The special case of CuBr and its d-level chemistry

November 9, 2023
Author(s)
Joseph Woicik, Eric J. Cockayne, Eric L. Shirley, Igor Levin, Conan Weiland, Bruce D. Ravel, A. M. Milinda Abeykoon
We have examined the lattice vibrations and the energy landscape of the isoelectronic diamond and zincblende semiconductor series CuBr, ZnSe, GaAs, and Ge. Vibrations are found to be an increasing function of ionicity, with the cation sublattice always

Linkage Transformations in a Three-Dimensional Covalent Organic Framework for High-Capacity Adsorption of Perfluoroalkyl Substances

November 3, 2023
Author(s)
Andrea Zeppuhar, Devin Rollins, Dale L. Huber, Emmanuel Bazan-Bergamino, Fu Chen, Hayden Evans, Mercedes Taylor
Despite their many advantages, covalent organic frameworks (COFs) built from three-dimensional monomers are synthetically difficult to functionalize. Herein, we provide a new synthetic approach to the functionalization of a three-dimensional covalent

Enhanced strength of additively manufactured Inconel 718 by means of a simplified heat treatment strategy

October 27, 2023
Author(s)
Jake Benzing, Nicholas Derimow, Orion Kafka, Nik Hrabe, Philipp Schumacher, Don Godfrey, Chad Beamer, Priya Pathare, Jay Carroll, Ping Lu, Isaiah Trujillo, Frank DelRio
This study simplified the heat treatment route and reduced the post-processing burden for laser powder bed fusion IN718 (a nickel-based superalloy). The tailored route retained advantageous microstructures and improved tensile strength when compared to the

Recent progress in the JARVIS infrastructure for next-generation data-driven materials design

October 18, 2023
Author(s)
Daniel Wines, Ramya Gurunathan, Kevin Garrity, Brian DeCost, Adam Biacchi, Francesca Tavazza, Kamal Choudhary
The Joint Automated Repository for Various Integrated Simulations (JARVIS) infrastructure at NIST is a large-scale collection of curated datasets and tools with more than 80000 materials and millions of properties. JARVIS uses a combination of electronic

What is missing in autonomous discovery: Open challenges for the community

October 16, 2023
Author(s)
Philip Maffetone, Howie Joress, Shijing Sun
Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has given rise to a rich community of passionate scientists, engineers, and social
Displaying 26 - 50 of 2107