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We introduce CHIPS-FF (Computational High-Performance Infrastructure for Predictive Simulation-based Force Fields), an open-source benchmarking platform for machine learning force fields (MLFFs). This platform focuses on complex properties including
May Martin, Kshitij Vijayvargia, T Nguyen, Mohsen Dadfarnia, Aleksandar Staykov, Petros Sofronis, Masanobu Kubota, John Pugh
High temperature hydrogen attack (HTHA) is a form of degradation of carbon steels exposed to high temperature and high-pressure hydrogen whereby internal hydrogen reacting with carbides forms methane gas bubbles with an associated loss in strength and
Nicholas Derimow, Joseph Gauspohl, Alec Saville, Jake Benzing, Elisabeth Mansfield, Christopher Gump, Nikolas Hrabe
With the ever-increasing research and development into additive manufacturing (AM) via laser powder bed fusion (PBF-L) of Ti-6Al-4V alloy, there has been numerous efforts to introduce different coatings onto the metal powder feedstock in order to achieve
Andrew LeBoeuf, Santigopal Samanta, Joseph Ronevich, Christopher San Marchi, Zachary Buck, Matthew Connolly, Lawrence Cho, Kip Findley
Cost-effective transportation of gaseous hydrogen requires the use of long-distance low-carbon steel pipeline networks. Employing higher strength (X65-X70) grades can allow for economic viability by enabling operation at higher pressures. While higher
Andrew Iams, Jordan Weaver, Brandon Lane, Lucille Giannuzzi, Feng Yi, Darby LaPlant, John Martin, Fan Zhang
Additive manufacturing (AM) has captured recent attention for its potential to fabricate high-strength aluminum alloy components. A detailed understanding of the microstructure under the as-fabricated conditions is required to harness its potential. We
Hua-Jun He, Zhiyong He, Steven Lund, Barbara Paugh, Jennifer McDaniel, Justin Zook, Sierra Miller, Samantha Maragh, Simona Patange, Mahir Mohiuddin, Alessandro Tona, John Elliott, Kenneth Cole, Sheng Lin-Gibson
Reference materials are essential for accurately measuring integrated lentiviral vector (LV) copy number (VCN) and integration sites for the safety and efficacy of lentivirus-based gene therapy. We conducted an interlaboratory study on NIST candidate
Impact from a fast-moving object is a common event, but it can vary greatly in terms of scale, speed, and energy depending on the specific case. Recent research has suggested that scaling analysis can be used to relate the impact performance of materials
Chemical hydrogen storage in organic materials is a promising method thanks to its high storage density, reversibility, and safety. However, the dehydrogenation process of organic materials requires high temperatures due to their unfavorable thermodynamic
Exploring and comprehending magnetocaloric materials with spin reorientation (SR) phase transition is of vital importance for practical applications of magnetocaloric effect (MCE). Herein, this study presents a systematic study on the magnetic properties,
Joshua Taillon, Edward Barnard, Laura Bartolo, Maria K. Y. Chan, Eric Stach, Mitra Taheri, Lynda Brinson, Peter Voorhees
The management, processing, and sharing of research data and experimental context produced on modern scientific instrumentation presents a myriad of challenges to nearly all within the materials research community. To help address these issues, MaRDA
We present an empirical equation of state in terms of the Helmholtz energy for trans-1,2-dichloroethene [R-1130(E)]. The range of validity is from the triple-point temperature to 525 K with pressures up to 30 MPa. It may be used to calculate all
Since 1989, the NIST Charpy Machine Verification Program in Boulder, Colorado has been indirectly verifying Charpy machines around the world according to ASTM E23, Standard Test Methods for Notched Bar Impact Testing of Metallic Materials, and ISO 148-2
Yuyin Xi, Ruipeng Li, William Heller, Wei-Ren Chen, Kunlun Hung, Aurora Zemborain, Yun Liu
Recently, a solvent segregation driven gel (SeedGel) has been demonstrated to be a tunable and versatile way to stabilize bicontinuous structures in a binary solvent. Here, the structure properties of the SeedGel prepared with two miscible solvents, 3
Ferdinand Kohle, Hiroaki Sai, William Tait, Peter Beaucage, Ethan Susca, R. Thedford, Ulrich Wiesner
Art and materials innovation have always been intertwined, dating back to the earliest human creations. In modern times, however, the increasing specialization of materials science often restricts artists' access to cutting-edge materials. Here, the
Cristiano Malica, Kostya Novoselov, Kamal Choudhary
This perspective addresses the topic of harnessing the tools of Artificial Intelligence (AI) for boosting innovation in functional materials design and engineering as well as discovering new materials for targeted applications in biomedicine, composites
Yu-Hsin Kuo, Dylan J. Matthews, Shinichiro N. Muramoto, TaeYoung Song, Chengyang Zhang, Xianduo Zhao, Md S. Rahman, Sanghyun Kang, Andres S. Aguirre, Seung M. Lee, Daewon Ha, Sourav Dutta, Theodore Moise, Jayakanth Ravichandran, Shimeng Yu, Alexander Grutter, Suman Datta, Tania Roy, Asif I. Khan
Hydrogen-based annealing processes like forming gas annealing (FGA), widely used in back-end-ofline (BEOL) fabrication, can severely impact the threshold voltage (VTH) and subthreshold swing (SS) stability of amorphous oxide semiconductor (AOS) transistors
Ashlee Aiello, Stefan Mitterhofer, Jan Obrzut, Karissa Jensen, Patryk Wasik, Chiara Barretta, Gernot Oreski, Stephanie Watson, Li Piin Sung, Xiaohong Gu
Accelerated aging was used to assess environmental degradation in emerging co-extruded polypropylene (PP)-based backsheets under three different environmental conditions (65 °C/20 % relative humidity (RH), 75 °C/20 % RH, and 75 °C/50 % RH). Although
Daniel Wines, Akram Ibrahim, Nishwanth Gudibandla, Tehseen Adel, Frank Abel, Sharadh Jois, Kayahan Saritas, Jaron Krogel, Li Yin, Tom Berlijn, Aubrey Hanbicki, Gregory Stephen, Adam Friedman, Sergiy Krylyuk, Albert Davydov, Brian Donovan, Michelle Jamer, Angela Hight Walker, Kamal Choudhary, Francesca Tavazza, Can Ataca
Two-dimensional (2D) 1T-VSe2 has prompted significant interest due to the discrepancies regarding alleged ferromagnetism (FM) at room temperature, charge density wave (CDW) states and the interplay between the two. We employed a combined Diffusion Monte
Sara Rostampour, Song-Syun Jhang, Jung Kai Hsu, Rachel Cook, Yuejin Li, chunlei fan, Li Piin Sung
Microplastics pose a significant environmental threat, and understanding their sources and generation mechanisms is crucial for mitigation efforts. This study investigates the effects of ultraviolet intensity, temperature, and relative humidity on the
Hubert King, Ryan Murphy, Avery Baumann, Andrew Allen, Huong Giang Nguyen, Lisa DeBeer-Schmitt, Jan Ilavsky
The conversion of gaseous CO2 into a solid constitution through mineralization is an active area of carbon capture, and alkaline earth metal hydroxides (M(OH)2, M = Ca2+, Mg2+) are frontrunners in this area. As model systems, nanolime samples are excellent
Sina Ghadi, Xiaobo Chen, Nicholas Tomasello, Nicholas Derimow, Srikanth Rangarajan, Guangwen Zhou, Scott Schiffres
Assessment of metal powders in powder bed additive manufacturing is crucial, as the quality of the powders significantly impacts the final printed parts. This study introduces a novel technique to characterize metal powders by analyzing changes in their
Rajesh Das, He Li, Hayden Evans, Zeyu Deng, Dan Zhao, Anthony K. Cheetham
Carbon capture, utilization, and sequestration (CCUS) have emerged as pivotal mitigation strategies in addressing climate change induced by greenhouse gas emissions. In this pursuit, our objective is to enhance the efficacy of adsorptive CO2 capture by
Crystal structure determination from powder diffraction patterns is a complex challenge in materials science, often requiring extensive expertise and computational resources. This study introduces DiffractGPT, a generative pre-trained transformer model
John Pettibone, Eric S. Windsor, Tae Joon Cho, Thomas Forbes, Ying Tung Kuo, Justin Gorham, Li Piin Sung, Song-Syun Jhang
Determining unknown secondary micro and nanoplastic (MNP) composition remains a persistent analytical challenge for field collected samples. The availability of material standards should accelerate method development for improved identification. Here
Andrew Naclerio, Peifu Cheng, Saban Hus, John Diulus, Marti Checa, Ivan Vlassiouk, William Fissel, Liam Collins, Matthew Coupin, Jamie Warner, Andrei Kolmakov, An-Ping Li, Piran Ravichandran Kidambi
Nanopores embedded within monolayer hexagonal boron nitride (h-BN) offer possibilities of creating atomically thin ceramic membranes with unique combinations of high permeance (atomic thinness), high selectivity (via molecular sieving), increased thermal