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Displaying 26 - 50 of 2090

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

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

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

High Sulfur Loading and Capacity Retention in Bilayer Garnet Sulfurized-Polyacrylonitrile/Lithium-Metal Batteries with Gel Polymer Electrolytes

September 24, 2023
Author(s)
Changmin Shi, Saya Takeuchi, George Alexander, Tanner Hamann, Jonathan O'Neill, Joseph A. Dura, Eric Wachsman
Abstract The cubic‐garnet (Li 7 La 3 Zr 2 O 12 , LLZO) lithium–sulfur battery shows great promise in the pursuit of achieving high energy densities. The sulfur used in the cathodes is abundant, inexpensive, and possesses high specific capacity. In addition

Evaluation of 3D Curvature and Lead Stress of Transvenous Right Ventricular Leads: The Human Use Conditions Study (HUCS)

September 9, 2023
Author(s)
Jonathan Piccini, Tim Quinn, Lucas Koepke, James Dawson, Nicki Mara, Jason Santelli, Diane Muff, Jordan Savela, Alex Felber, Michael Friedrich, Jens Rump, Felix Tschentscher, Jake Benzing, Charles Swerdlow
Transvenous leads of cardiac implanted electronic device (CIED) systems are meant to last the life of the patient, but they are at risk for conductor fatigue fracture from applied alternating stress. This stress depends on lead design and use conditions

Quantifying Pairwise Similarity for Complex Polymers

September 6, 2023
Author(s)
Jiale Shi, Nathan Rebello, Dylan Walsh, Michael Deagen, Bruno Salomao Leao, Debra Audus, Bradley Olsen
Defining the similarity between chemical entities is an essential task in polymer informatics, enabling ranking, clustering, and classification. Despite its importance, pairwise chemical similarity for polymers remains an open problem. Here, a similarity

Broadband Electromagnetic Properties of Engineered Flexible Absorber Materials

August 23, 2023
Author(s)
Luckshitha Suriyasena Liyanage, Connor Smith, Jacob Pawlik, Sarah Evans, Angela Stelson, Chris Long, Nate Orloff, David Arnold, Jim Booth
Flexible and stretchable materials have attracted significant interest for applications in wearable electronics and bioengineering fields. Recent developments also incorporate embedded microwave circuits, components, and systems with engineered flexible

National Institute of Standards and Technology Environmental Scan 2023: Societal and Technology Landscape to Inform Science and Technology Research

August 23, 2023
Author(s)
Ashley Boggs-Russell, Kerrianne Buchanan, David W. Griffith, Heather Evans, Dimitrios Meritis, Lisa Ng, Anna Sberegaeva, Michelle Stephens
The 2023 National Institute of Standards and Technology Environmental Scan provides an analysis of key external factors that could impact NIST and the fulfillment of its mission in coming years. The analyses were conducted through three separate lenses
Displaying 26 - 50 of 2090