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Materials

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Displaying 326 - 350 of 2343

Phosphate-Functionalized MOF-808 for High Performance Li-S Batteries

May 8, 2023
Author(s)
Bingqian Liu, Avery Baumann, Megan Butala, V. Sara Thoi
Lithium–sulfur batteries are promising candidates for next-generation energy storage devices due to their outstanding theoretical energy density. However, they suffer from low sulfur utilization and poor cyclability, greatly limiting their practical

Noncryogenic Air Separation using Aluminum Formate Al(HCOO) 3 (ALF)

May 3, 2023
Author(s)
Dinesh Mullangi, Hayden Evans, Taner N. Yildirim, Yuxiang Wang, Zeyu Deng, Zhaoqiang Zhang, Thuc Mai, Fengxia Wei, John Wang, Angela R. Hight Walker, Craig Brown, Dan Zhao, Pieremanuele Canepa, Anthony K. Cheetham
Separating oxygen from air to create oxygen-enriched gas streams is a process that is significant in both industrial and medical fields. However, the prominent technologies for creating oxygen-enriched gas streams are both energy and infrastructure

AI for Materials

April 25, 2023
Author(s)
Debra Audus, Kamal Choudhary, Brian DeCost, A. Gilad Kusne, Francesca Tavazza, James A. Warren
The application of artificial intelligence (AI) methods to materials re- search and development (MR&D) is poised to radically reshape how materials are discovered, designed, and deployed into manufactured products. Materials underpin modern life, and

Forward and Inverse design of high $T_C$ superconductors with DFT and deep learning

April 21, 2023
Author(s)
Daniel Wines, Kevin Garrity, Tian Xie, Kamal Choudhary
We developed a multi-step workflow for the discovery of next-generation conventional superconductors. 1) We started with a Bardeen–Cooper–Schrieffer (BCS) inspired pre-screening of 55000 materials in the JARVIS-DFT database resulting in 1736 materials with

Superconformal Film Growth: From Smoothing Surfaces to Interconnect Technology

April 20, 2023
Author(s)
Thomas P. Moffat, Trevor Braun, David Raciti, Daniel Josell
CONSPECTUS: State-of-the-art manufacturing of electronics involves the electrodeposition of Cu to form 3-D circuitry of arbitrary complexity. This ranges from nanometers wide interconnects between individual transistors to increasingly large multilevel

Correlating the Diffusion of Water in Model Polyamides with Controlled Crosslink Densities to the Performance in Reverse Osmosis Membranes for Desalination

April 18, 2023
Author(s)
Velencia Witherspoon, Kanae Ito, Chad R. Snyder, Madhusudan (Madhu) Tyagi, Tyler Martin, Peter Beaucage, Ryan Nieuwendaal, Richard Vallery, David Gidley, Jeffrey Wilbur, Dean Welsh, Christopher Stafford, Christopher Soles
To elucidate robust design cues for improving the active polyamide (PA) filtration layers in reverse osmosis (RO) membrane for desalination, we systematically reduce the cross-link density of a PA network based on m-phenylene diamine by substituting a

Modification of Nafion's Nanostructure for the Water Management of PEM Fuel Cells

April 15, 2023
Author(s)
Yuanchao Li, Natalie Schwab, Robert M. Briber, Joseph A. Dura, Trung Van Nguyen
A PEM fuel cell with the Nafion® ionomer phase of the cathode catalyst layer (CL) that was exposed to dry gas during the annealing process showed improved performance over the whole current density range and 220% peak power increase with humidified air at

A high-strength precipitation hardened cobalt-free high-entropy alloy

April 12, 2023
Author(s)
Matthew Luebbe, Jiaqi Duan, Fan Zhang, Jonathan Poplawsky, Hans Pommeranke, Maalavan Arivu, Andrew Hoffman, Haiming Wen
Recent studies on precipitation-hardened high-entropy alloys (HEAs) demonstrate their high strength and thermal stability, making them promising materials for high-temperature structural applications such as nuclear reactors. However, many existing HEAs

Multivariate Flexible Framework with High Usable Hydrogen Capacity in a Reduced Pressure Swing Process

April 12, 2023
Author(s)
Arijit Halder, Ryan Klein, Sarah Shulda, Gavin McCarver, Philip Parilla, Hiroyasu Furukawa, Craig Brown, C. Michael McGuirk
Step-shaped adsorption¬–desorption of gaseous payloads by a flexible metal–organic framework can facilitate the delivery of large usable capaci-ties with significantly reduced energetic penalties. This is desirable for the storage, transport, and delivery

Effect of Alkali-Silica Reaction on the Flexural Behavior of Beams with Tensile Lap Splices

March 31, 2023
Author(s)
Long Phan, Jonathan Weigand, Fahim H. Sadek, Adam L. Pintar, Sorin Marcu, Travis Thonstad, Timothy Barrett
A series of 19 beam specimens, with varying stirrup spacing and tensile lap splice lengths, were tested at the National Institute of Standards and Technology (NIST) under four-point loading to investigate the impact of alkali silica reaction (ASR) on the

MPpredictor: An Artificial Intelligence-Driven Web Tool for Composition-Based Material Property Prediction

March 27, 2023
Author(s)
Kamal Choudhary, Francesca Tavazza, Carelyn E. Campbell, Vishu Gupta, Yuwei Mao, Kewei Wang, Wei-keng Liao, Alok Choudhary, Ankit Agrawal
The applications of artificial intelligence, machine learning, and deep learning techniques in the field of materials science are becoming increasingly common due to their promising abilities to extract and utilize data-driven information from available

Controlling solute trapping and solute drag in a phase-field model

March 16, 2023
Author(s)
Arnab Mukherjee, James A. Warren
The finite solid-liquid interface width in phase-field models results in non-equilibrium effects, including solute trapping. Prior phase field modeling has shown that this extra degree of freedom, when compared to sharp-interface models, results in solute

Effect of Aging on Unidirectional Composite Laminate Polyethylene for Body Armor

March 8, 2023
Author(s)
Amy Engelbrecht-Wiggans, Ajay Krishnamurthy, Amanda L. Forster
Ballistic-resistant body armor has increasingly been using flexible unidirectional (UD) composite laminates that comprise multiple layers in the armor construction. Each UD layer contains high-performance fibers held in place using very low modulus binder

Resolving Complex Photoconductivity of Perovskite and Organic Semiconductor Films Using Phase-Sensitive Microwave Interferometry

March 2, 2023
Author(s)
Jasleen Bindra, Pragya Shrestha, Sebastian Engmann, Chad Cruz, Lea Nienhaus, Emily Bittle, Jason Campbell
Complex transient photoconductivity (Δσ) contains rich fingerprints of charge recombination dynamics in photoactive films. However, a direct measure of both real (Δσ′) and imaginary (Δσ″) components has proven difficult using conventional cavity-based time

The hazard of UV-induced oxidation to solar-viewing spacecraft optics

March 2, 2023
Author(s)
Charles S. Tarrio, Robert F. Berg, Thomas B. Lucatorto, Dale E. Newbury, Nicholas Ritchie, Andrew Jones, Frank Eparvier
The two most prevalent outgas contaminants on satellites are organic molecules and water vapor. Adsorbed organic molecules can degrade a solar-viewing instrument when they are cracked by ultraviolet radiation (UV) and become a light-absorbing layer of

AtomVision: A machine vision library for atomistic images

March 1, 2023
Author(s)
Brian DeCost, Ramya Gurunathan, Adam Biacchi, Kamal Choudhary
Computer vision techniques have immense potential for materials design applications. In this work, we introduce an integrated and general-purpose AtomVision library that can be used to generate and curate microscopy image (such as scanning tunneling

Fire Resistance of Structural Members and Assemblies

March 1, 2023
Author(s)
Matthew Hoehler
The selection of building materials and the design of the details of construction always play an important role in overall building fire safety. Two important fire safety considerations regarding the building structure are to minimize the likelihood of
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