U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Search Publications

NIST Authors in Bold

Displaying 276 - 300 of 2368

Understanding and Leveraging Short Range Order in Compositionally Complex Alloys

November 20, 2023
Author(s)
Mitra Taheri, Elaf Anber, Annie Barnett, Nick Birbilis, Brian DeCost, Daniel Foley, Emily Holcombe, Jonathan Hollenbach, Howie Joress, Yevgeny Rakita, James Rondinelli, Nathan Smith, Michael Waters, Chris Wolverton
In this article, we review the opportunities and challenges associated with complex concentrated materials that exhibit short-range order. Although the presence of such phenomena has been theorized, accurate computational representation, characterization

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

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

Construction of Negative Electrostatic Pore Environments in a Scalable, Stable and Low-Cost Metal-Organic Framework for One-Step Ethylene Purification from Ternary Mixtures

October 26, 2023
Author(s)
Hui-Min Wen, Chenyi Yu, Miaoyu Liu, Chenyan Lin, Beiyu Zhao, Hui Wu, Wei Zhou, Banglin Chen, Jun Hu
One-step separation of C2H4 from ternary C2mixtures by physisorbents remains a challenge to combine excellent separation performance with high stability, low cost, and easy scalability for industrial applications. Herein, we report a strategy of

Emerging Nontrivial Topology in Ultrathin Films of Rare-Earth Pnictides

October 23, 2023
Author(s)
Dai Ho, Ruiqi Hu, Quang To, Garnett Bryant, Anderson Janotti
Thin films of semimetals, such as rare-earth monopnictides, are expected to turn into semiconductors due to quantum confinement effect, which lifts the overlap between electron pockets at Brillouin zone edges and hole pockets at the zone center. Instead

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

In situ Probing of Interfacial Roughness and Transient Phases During Ceramic Cold Sintering Process

October 15, 2023
Author(s)
Fan Zhang, Russell Maier, Igor Levin, Andrew J. Allen, Jun-Sang Park, Peter Kenesei, Ivan Kuzmenko, Jan Ilavsky, Pete Jemian
The ceramic cold sintering process (CSP) offers an eco-friendly approach to producing fully dense ceramics at low temperatures. However, an incomplete mechanistic understanding hinders its optimization and widespread adoption. In this study, we analyze the

Fundamental Equation of State for Fluid Tetrahydrofuran

October 9, 2023
Author(s)
Felix Fiedler, Joel Karog, Eric W. Lemmon, Monika Thol
An empirical equation of state in terms of the Helmholtz energy for tetrahydro- furan is presented. In the validity range from the triple-point temperature up to 550 K and pressures up to 600 MPa, the equation of state enables the calculation of all

Dark Field X-ray Microscopy Below Liquid-Helium Temperature: The Case of NaMnO2

October 1, 2023
Author(s)
Jayden Plumb, Ishwor Poudyal, Rebecca Dally, Samantha Daly, Stephen Wilson, Zahir Islam
Dark field X-ray microscopy (DFXM) is an experimental technique employed to investigate material properties by probing their 'mesoscale,' or microscale structures, in a bulk-sensitive manner using hard X-rays at synchrotron radiation sources. However

Hydrogen Storage with Aluminum Formate, ALF: Experimental, Computational, and Technoeconomic Studies

September 28, 2023
Author(s)
Hayden Evans, Taner N. Yildirim, Peng Peng, Yongqiang Cheng, Zeyu Deng, Qiang Zhang, Dinesh Mullangi, Dan Zhao, Pieremanuele Canepa, Hanna M. Breunig, Anthony K. Cheetham, Craig Brown
Long-duration storage of hydrogen is necessary for coupling renewable H2 with stationary fuel cell power applications. In this work, aluminum formate (ALF), which adopts the ReO3-type structure, is shown to have remarkable H2 storage performance at non
Displaying 276 - 300 of 2368
Was this page helpful?