Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy

Autor: Qi-Jun Hong, Jan Schroers, Douglas Hofmann, Stefano Curtarolo, Mark Asta, Axel van de Walle

Publikováno v: npj Computational Materials, Vol 7, Iss 1, Pp 1-4 (2021)

Abstract While rhenium is an ideal material for rapid thermal cycling applications under high temperatures, such as rocket engine nozzles, its high cost limits its widespread use and prompts an exploration of viable cost-effective substitutes. In pri

Externí odkaz: https://doaj.org/article/b72a94f797c04486942b9439e51ccee6

Melting temperature prediction using a graph neural network model: From ancient minerals to new materials

Autor: Qi-Jun Hong, Sergey V. Ushakov, Axel van de Walle, Alexandra Navrotsky

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America, vol 119, iss 36

The melting point is a fundamental property that is time-consuming to measure or compute, thus hindering high-throughput analyses of melting relations and phase diagrams over large sets of candidate compounds. To address this, we build a machine lear

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87ee793f5aa0af59a839758339997f7b
https://pubmed.ncbi.nlm.nih.gov/36044552

Structure and thermodynamics of oxides/carbides/nitrides/borides at high temperatures.

Autor: Qi-Jun Hong¹, Ushakov, Sergey V.², Lilova, Kristina², Navrotsky, Alexandra², McCormack, Scott J.³ sjmccormack@ucdavis.edu

Publikováno v: American Ceramic Society Bulletin. Mar2023, Vol. 102 Issue 2, p28-35. 8p.

Energetics of melting of Yb2O3 and Lu2O3 from drop and catch calorimetry and first principles computations

Autor: Sergey V. Ushakov, Qi-Jun Hong, D. Kapush, Alexandra Navrotsky, Matthew Fyhrie, Axel van de Walle, Helena Liu

Publikováno v: The Journal of Chemical Thermodynamics. 132:405-410

The energetics of melting of Yb2O3 (Tfus 2707 ± 20 K) and Lu2O3 (Tfus 2762 ± 15 K) were studied experimentally by drop-and-catch (DnC) calorimetry and computationally by ab initio molecular dynamic (AI MD) techniques. Fusion enthalpies for Yb2O3 (1

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::db7b0751522b846778ee3f401bb1287c
https://doi.org/10.1016/j.jct.2019.01.008

Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the US

Autor: Estee Y Cramer, Evan L Ray, Velma K Lopez, Johannes Bracher, Andrea Brennen, Alvaro J Castro Rivadeneira, Aaron Gerding, Tilmann Gneiting, Katie H House, Yuxin Huang, Dasuni Jayawardena, Abdul H Kanji, Ayush Khandelwal, Khoa Le, Anja Mühlemann, Jarad Niemi, Apurv Shah, Ariane Stark, Yijin Wang, Nutcha Wattanachit, Martha W Zorn, Youyang Gu, Sansiddh Jain, Nayana Bannur, Ayush Deva, Mihir Kulkarni, Srujana Merugu, Alpan Raval, Siddhant Shingi, Avtansh Tiwari, Jerome White, Neil F Abernethy, Spencer Woody, Maytal Dahan, Spencer Fox, Kelly Gaither, Michael Lachmann, Lauren Ancel Meyers, James G Scott, Mauricio Tec, Ajitesh Srivastava, Glover E George, Jeffrey C Cegan, Ian D Dettwiller, William P England, Matthew W Farthing, Robert H Hunter, Brandon Lafferty, Igor Linkov, Michael L Mayo, Matthew D Parno, Michael A Rowland, Benjamin D Trump, Yanli Zhang-James, Samuel Chen, Stephen V Faraone, Jonathan Hess, Christopher P Morley, Asif Salekin, Dongliang Wang, Sabrina M Corsetti, Thomas M Baer, Marisa C Eisenberg, Karl Falb, Yitao Huang, Emily T Martin, Ella McCauley, Robert L Myers, Tom Schwarz, Daniel Sheldon, Graham Casey Gibson, Rose Yu, Liyao Gao, Yian Ma, Dongxia Wu, Xifeng Yan, Xiaoyong Jin, Yu-Xiang Wang, YangQuan Chen, Lihong Guo, Yanting Zhao, Quanquan Gu, Jinghui Chen, Lingxiao Wang, Pan Xu, Weitong Zhang, Difan Zou, Hannah Biegel, Joceline Lega, Steve McConnell, VP Nagraj, Stephanie L Guertin, Christopher Hulme-Lowe, Stephen D Turner, Yunfeng Shi, Xuegang Ban, Robert Walraven, Qi-Jun Hong, Stanley Kong, Axel van de Walle, James A Turtle, Michal Ben-Nun, Steven Riley, Pete Riley, Ugur Koyluoglu, David DesRoches, Pedro Forli, Bruce Hamory, Christina Kyriakides, Helen Leis, John Milliken, Michael Moloney, James Morgan, Ninad Nirgudkar, Gokce Ozcan, Noah Piwonka, Matt Ravi, Chris Schrader, Elizabeth Shakhnovich, Daniel Siegel, Ryan Spatz, Chris Stiefeling, Barrie Wilkinson, Alexander Wong, Sean Cavany, Guido España, Sean Moore, Rachel Oidtman, Alex Perkins, David Kraus, Andrea Kraus, Zhifeng Gao, Jiang Bian, Wei Cao, Juan Lavista Ferres, Chaozhuo Li, Tie-Yan Liu, Xing Xie, Shun Zhang, Shun Zheng, Alessandro Vespignani, Matteo Chinazzi, Jessica T Davis, Kunpeng Mu, Ana Pastore y Piontti, Xinyue Xiong, Andrew Zheng, Jackie Baek, Vivek Farias, Andreea Georgescu, Retsef Levi, Deeksha Sinha, Joshua Wilde, Georgia Perakis, Mohammed Amine Bennouna, David Nze-Ndong, Divya Singhvi, Ioannis Spantidakis, Leann Thayaparan, Asterios Tsiourvas, Arnab Sarker, Ali Jadbabaie, Devavrat Shah, Nicolas Della Penna, Leo A Celi, Saketh Sundar, Russ Wolfinger, Dave Osthus, Lauren Castro, Geoffrey Fairchild, Isaac Michaud, Dean Karlen, Matt Kinsey, Luke C. Mullany, Kaitlin Rainwater-Lovett, Lauren Shin, Katharine Tallaksen, Shelby Wilson, Elizabeth C Lee, Juan Dent, Kyra H Grantz, Alison L Hill, Joshua Kaminsky, Kathryn Kaminsky, Lindsay T Keegan, Stephen A Lauer, Joseph C Lemaitre, Justin Lessler, Hannah R Meredith, Javier Perez-Saez, Sam Shah, Claire P Smith, Shaun A Truelove, Josh Wills, Maximilian Marshall, Lauren Gardner, Kristen Nixon, John C. Burant, Lily Wang, Lei Gao, Zhiling Gu, Myungjin Kim, Xinyi Li, Guannan Wang, Yueying Wang, Shan Yu, Robert C Reiner, Ryan Barber, Emmanuela Gakidou, Simon I. Hay, Steve Lim, Chris J.L. Murray, David Pigott, Heidi L Gurung, Prasith Baccam, Steven A Stage, Bradley T Suchoski, B. Aditya Prakash, Bijaya Adhikari, Jiaming Cui, Alexander Rodríguez, Anika Tabassum, Jiajia Xie, Pinar Keskinocak, John Asplund, Arden Baxter, Buse Eylul Oruc, Nicoleta Serban, Sercan O Arik, Mike Dusenberry, Arkady Epshteyn, Elli Kanal, Long T Le, Chun-Liang Li, Tomas Pfister, Dario Sava, Rajarishi Sinha, Thomas Tsai, Nate Yoder, Jinsung Yoon, Leyou Zhang, Sam Abbott, Nikos I Bosse, Sebastian Funk, Joel Hellewell, Sophie R Meakin, Katharine Sherratt, Mingyuan Zhou, Rahi Kalantari, Teresa K Yamana, Sen Pei, Jeffrey Shaman, Michael L Li, Dimitris Bertsimas, Omar Skali Lami, Saksham Soni, Hamza Tazi Bouardi, Turgay Ayer, Madeline Adee, Jagpreet Chhatwal, Ozden O Dalgic, Mary A Ladd, Benjamin P Linas, Peter Mueller, Jade Xiao, Yuanjia Wang, Qinxia Wang, Shanghong Xie, Donglin Zeng, Alden Green, Jacob Bien, Logan Brooks, Addison J Hu, Maria Jahja, Daniel McDonald, Balasubramanian Narasimhan, Collin Politsch, Samyak Rajanala, Aaron Rumack, Noah Simon, Ryan J Tibshirani, Rob Tibshirani, Valerie Ventura, Larry Wasserman, Eamon B O’Dea, John M Drake, Robert Pagano, Quoc T Tran, Lam Si Tung Ho, Huong Huynh, Jo W Walker, Rachel B Slayton, Michael A Johansson, Matthew Biggerstaff, Nicholas G Reich

Short-term probabilistic forecasts of the trajectory of the COVID-19 pandemic in the United States have served as a visible and important communication channel between the scientific modeling community and both the general public and decision-makers.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ac62b4eee730f9385d30ffc597154075
https://doi.org/10.1101/2021.02.03.21250974