Works by Asta, Mark

Results: 59

Cover Feature: Resolving the Chemical Formula of Nesquehonite via NMR Crystallography, DFT Computation, and Complementary Neutron Diffraction (Chem. Eur. J. 5/2023).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 5, p. 1, doi. 10.1002/chem.202300007

By:

Cui, Jinlei;
Prisk, Timothy R.;
Olmsted, David L.;
Su, Vicky;
Asta, Mark;
Hayes, Sophia E.

Publication type:

Article

Resolving the Chemical Formula of Nesquehonite via NMR Crystallography, DFT Computation, and Complementary Neutron Diffraction.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 5, p. 1, doi. 10.1002/chem.202203052

By:

Cui, Jinlei;
Prisk, Timothy R.;
Olmsted, David L.;
Su, Vicky;
Asta, Mark;
Hayes, Sophia E.

Publication type:

Article

Modern Developments in Multiphysics Materials Simulations.

Published in:

Physica Status Solidi (B), 2008, v. 245, n. 12, p. 2617, doi. 10.1002/pssb.200840539

By:

Neugebauer, Jörg;
Asta, Mark

Publication type:

Article

Rejuvenation as the origin of planar defects in the CrCoNi medium entropy alloy.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45696-z

By:

Yang, Yang;
Yin, Sheng;
Yu, Qin;
Zhu, Yingxin;
Ding, Jun;
Zhang, Ruopeng;
Ophus, Colin;
Asta, Mark;
Ritchie, Robert O.;
Minor, Andrew M.

Publication type:

Article

Rejuvenation as the origin of planar defects in the CrCoNi medium entropy alloy.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45696-z

By:

Yang, Yang;
Yin, Sheng;
Yu, Qin;
Zhu, Yingxin;
Ding, Jun;
Zhang, Ruopeng;
Ophus, Colin;
Asta, Mark;
Ritchie, Robert O.;
Minor, Andrew M.

Publication type:

Article

Theory-guided design of high-entropy alloys with enhanced strength-ductility synergy.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-38111-6

By:

Pei, Zongrui;
Zhao, Shiteng;
Detrois, Martin;
Jablonski, Paul D.;
Hawk, Jeffrey A.;
Alman, David E.;
Asta, Mark;
Minor, Andrew M.;
Gao, Michael C.

Publication type:

Article

Temperature-dependent chemical ordering in bcc-based ternary alloys: a theoretical study of Ti-Al-Nb.

Published in:

Philosophical Magazine Letters, 1999, v. 79, n. 8, p. 551, doi. 10.1080/095008399176922

By:

Johnson, D. D.;
Asta, Mark;
Althoff, J. D.

Publication type:

Article

The concentration and temperature dependences of antiphase-boundary energies in gamma -TiAl: A first-principles study.

Published in:

Philosophical Magazine Letters, 1997, v. 76, n. 5, p. 331, doi. 10.1080/095008397178931

By:

Asta, Mark;
Quong, Andrew A.

Publication type:

Article

Solid structure of Li2BeF4 (FLiBe) from room temperature to melting studied by neutron and X‐ray diffraction.

Published in:

Journal of Applied Crystallography, 2025, v. 58, n. 2, p. 435, doi. 10.1107/S1600576725000548

By:

Gardner, D. Nathanael;
Williams, Haley;
Vogel, Sven C.;
Fayfar, Sean;
Khaykovich, Boris;
Srivastava, Shivani;
Hwang, Andrea;
Asta, Mark;
Sprouster, David;
Olds, Dan;
Vershbow, Gregory;
Neuefeind, Jörg C.;
Scarlat, Raluca O.

Publication type:

Article

Accelerating phase field simulations through a hybrid adaptive Fourier neural operator with U-net backbone.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-024-01488-z

By:

Bonneville, Christophe;
Bieberdorf, Nathan;
Hegde, Arun;
Asta, Mark;
Najm, Habib N.;
Capolungo, Laurent;
Safta, Cosmin

Publication type:

Article

Dipolar cations confer defect tolerance in wide-bandgap metal halide perovskites.

Published in:

Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-05531-8

By:

Tan, Hairen;
Che, Fanglin;
Wei, Mingyang;
Zhao, Yicheng;
Saidaminov, Makhsud I.;
Todorović, Petar;
Broberg, Danny;
Walters, Grant;
Tan, Furui;
Zhuang, Taotao;
Sun, Bin;
Liang, Zhiqin;
Yuan, Haifeng;
Fron, Eduard;
Kim, Junghwan;
Yang, Zhenyu;
Voznyy, Oleksandr;
Asta, Mark;
Sargent, Edward H.

Publication type:

Article

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

Published in:

NPJ Computational Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41524-020-00473-6

By:

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

Publication type:

Article

Ab initio modeling of the energy landscape for screw dislocations in body-centered cubic high-entropy alloys.

Published in:

NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00377-5

By:

Yin, Sheng;
Ding, Jun;
Asta, Mark;
Ritchie, Robert O.

Publication type:

Article

Grand canonically optimized grain boundary phases in hexagonal close-packed titanium.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-51330-9

By:

Chen, Enze;
Heo, Tae Wook;
Wood, Brandon C.;
Asta, Mark;
Frolov, Timofey

Publication type:

Article

NMR Crystallography: Evaluation of Hydrogen Positions in Hydromagnesite by 13C{1H} REDOR Solid‐State NMR and Density Functional Theory Calculation of Chemical Shielding Tensors.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 13, p. 4210, doi. 10.1002/anie.201813306

By:

Cui, Jinlei;
Olmsted, David L.;
Mehta, Anil K.;
Asta, Mark;
Hayes, Sophia E.

Publication type:

Article

Direct measurement of nanostructural change during in situ deformation of a bulk metallic glass.

Published in:

Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-10416-5

By:

Pekin, Thomas C.;
Ding, Jun;
Gammer, Christoph;
Ozdol, Burak;
Ophus, Colin;
Asta, Mark;
Ritchie, Robert O.;
Minor, Andrew M.

Publication type:

Article

NMR Crystallography: Evaluation of Hydrogen Positions in Hydromagnesite by 13C{1H} REDOR Solid‐State NMR and Density Functional Theory Calculation of Chemical Shielding Tensors.

Published in:

Angewandte Chemie, 2019, v. 131, n. 13, p. 4254, doi. 10.1002/ange.201813306

By:

Cui, Jinlei;
Olmsted, David L.;
Mehta, Anil K.;
Asta, Mark;
Hayes, Sophia E.

Publication type:

Article

Diffuse Electron Diffraction Intensities in Concentrated Solid Solutions Do Not Necessarily Come from Short-range Order.

Published in:

2023

By:

Zhang, Mingwei;
Walsh, Flynn;
Asta, Mark;
Ritchie, Robert O;
Minor, Andrew M

Publication type:

Abstract

In-situ TEM Deformation of High Entropy Alloys.

Published in:

2023

By:

Payne, Madelyn I;
Zhang, Mingwei;
Radmilović, Velimir R;
Kumar, Punit;
Asta, Mark;
Ritchie, Robert O;
Minor, Andrew M

Publication type:

Abstract

Elucidating the Role of Cr Migration in Ni-Cr Exposed to Molten FLiNaK via STEM-Based Methods.

Published in:

2023

By:

Mills, Sean H;
Hayes, Ryan D;
Bieberdorf, Nathan;
Zeltmann, Steven E;
Kennedy, Alexandra M;
Scarlat, Raluca O;
Asta, Mark;
Minor, Andrew M

Publication type:

Abstract

The effect of Cr alloying on defect migration at Ni grain boundaries.

Published in:

Journal of Materials Science, 2022, v. 57, n. 23, p. 10499, doi. 10.1007/s10853-021-06590-x

By:

Uberuaga, Blas P.;
Simonnin, Pauline;
Rosso, Kevin M.;
Schreiber, Daniel K.;
Asta, Mark

Publication type:

Article

The structure and chemistry of the TiO[sub 2]-rich surface of SrTiO[sub 3] (001).

Published in:

Nature, 2002, v. 419, n. 6902, p. 55, doi. 10.1038/nature01010

By:

Erdman, Natasha;
Poeppelmeier, Kenneth R.;
Asta, Mark;
Warschkow, Oliver;
Ellis, Donald E.;
Marks, Laurence D.

Publication type:

Article

Tunable and low-loss correlated plasmons in Mott-like insulating oxides.

Published in:

Nature Communications, 2017, v. 8, n. 5, p. 15271, doi. 10.1038/ncomms15271

By:

Asmara, Teguh Citra;
Wan, Dongyang;
Zhao, Yongliang;
Majidi, Muhammad Aziz;
Nelson, Christopher T.;
Scott, Mary C.;
Cai, Yao;
Yan, Bixing;
Schmidt, Daniel;
Yang, Ming;
Zhu, Tao;
Trevisanutto, Paolo E.;
Motapothula, Mallikarjuna R.;
Feng, Yuan Ping;
Breese, Mark B. H.;
Sherburne, Matthew;
Asta, Mark;
Minor, Andrew;
Venkatesan, T.;
Rusydi, Andrivo

Publication type:

Article

Universal structural parameter to quantitatively predict metallic glass properties.

Published in:

Nature Communications, 2016, v. 7, n. 12, p. 13733, doi. 10.1038/ncomms13733

By:

Ding, Jun;
Cheng, Yong-Qiang;
Sheng, Howard;
Asta, Mark;
Ritchie, Robert O.;
Ma, Evan

Publication type:

Article

Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries.

Published in:

Nature Communications, 2014, v. 5, n. 3, p. 3529, doi. 10.1038/ncomms4529

By:

Lin, Feng;
Markus, Isaac M.;
Nordlund, Dennis;
Weng, Tsu-Chien;
Asta, Mark D.;
Xin, Huolin L.;
Doeff, Marca M.

Publication type:

Article

Structural phase transformations in metallic grain boundaries.

Published in:

Nature Communications, 2013, v. 4, n. 5, p. 1899, doi. 10.1038/ncomms2919

By:

Frolov, Timofey;
Olmsted, David L.;
Asta, Mark;
Mishin, Yuri

Publication type:

Article

Computational Materials Science and Engineering Education: An Updated Survey of Trends and Needs.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2018, v. 70, n. 9, p. 1644, doi. 10.1007/s11837-018-2989-7

By:

Enrique, Raúl A.;
Thornton, Katsuyo;
Asta, Mark

Publication type:

Article

Computational Materials Discovery and Design.

Published in:

2014

By:

Asta, Mark

Publication type:

Editorial

Computational materials science and engineering education: A survey of trends and needs.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2009, v. 61, n. 10, p. 12, doi. 10.1007/s11837-009-0142-3

By:

Thornton, K.;
Nola, Samanthule;
Garcia, R. Edwin;
Asta, Mark;
Olson, G. B.

Publication type:

Article

From Atoms to Dendrites.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2004, v. 56, n. 4, p. 49, doi. 10.1007/s11837-004-0073-y

By:

Hoyt, J. J.;
Karma, Alain;
Asta, Mark;
Sun, D. Y.

Publication type:

Article

Three-State Ferroelastic Switching and Large Electromechanical Responses in PbTiO3 Thin Films.

Published in:

Advanced Materials, 2017, v. 29, n. 37, p. n/a, doi. 10.1002/adma.201702069

By:

Damodaran, Anoop R.;
Pandya, Shishir;
Agar, Josh C.;
Cao, Ye;
Vasudevan, Rama K.;
Xu, Ruijuan;
Saremi, Sahar;
Li, Qian;
Kim, Jieun;
McCarter, Margaret R.;
Dedon, Liv R.;
Angsten, Tom;
Balke, Nina;
Jesse, Stephen;
Asta, Mark;
Kalinin, Sergei V.;
Martin, Lane W.

Publication type:

Article

Solution-Processed Tin-Based Perovskite for Near-Infrared Lasing.

Published in:

Advanced Materials, 2016, v. 28, n. 37, p. 8191, doi. 10.1002/adma.201601418

By:

Xing, Guichuan;
Kumar, Mulmudi Hemant;
Chong, Wee Kiang;
Liu, Xinfeng;
Cai, Yao;
Ding, Hong;
Asta, Mark;
Grätzel, Michael;
Mhaisalkar, Subodh;
Mathews, Nripan;
Sum, Tze Chien

Publication type:

Article

Lead-Free Halide Perovskite Solar Cells with High Photocurrents Realized Through Vacancy Modulation.

Published in:

Advanced Materials, 2014, v. 26, n. 41, p. 7122, doi. 10.1002/adma.201401991

By:

Kumar, Mulmudi Hemant;
Dharani, Sabba;
Leong, Wei Lin;
Boix, Pablo P.;
Prabhakar, Rajiv Ramanujam;
Baikie, Tom;
Shi, Chen;
Ding, Hong;
Ramesh, Ramamoorthy;
Asta, Mark;
Graetzel, Michael;
Mhaisalkar, Subodh G.;
Mathews, Nripan

Publication type:

Article

Grain boundary effects in high-temperature liquid-metal dealloying: a multi-phase field study.

Published in:

NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01076-7

By:

Bieberdorf, Nathan;
Asta, Mark;
Capolungo, Laurent

Publication type:

Article

High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications.

Published in:

NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01015-6

By:

Broberg, Danny;
Bystrom, Kyle;
Srivastava, Shivani;
Dahliah, Diana;
Williamson, Benjamin A. D.;
Weston, Leigh;
Scanlon, David O.;
Rignanese, Gian-Marco;
Dwaraknath, Shyam;
Varley, Joel;
Persson, Kristin A.;
Asta, Mark;
Hautier, Geoffroy

Publication type:

Article

Realistic magnetic thermodynamics by local quantization of a semiclassical Heisenberg model.

Published in:

NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00875-8

By:

Walsh, Flynn;
Asta, Mark;
Wang, Lin-Wang

Publication type:

Article

Modeling antiphase boundary energies of Ni3Al-based alloys using automated density functional theory and machine learning.

Published in:

NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00755-1

By:

Chen, Enze;
Tamm, Artur;
Wang, Tao;
Epler, Mario E.;
Asta, Mark;
Frolov, Timofey

Publication type:

Article

Corrigendum: Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE = Ho, Y, Gd, Nd, La).

Published in:

Scientific Reports, 2017, p. 42380, doi. 10.1038/srep42380

By:

Solomon, Jonathan M.;
Shamblin, Jacob;
Lang, Maik;
Navrotsky, Alexandra;
Asta, Mark

Publication type:

Article

Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE=Ho, Y, Gd, Nd, La).

Published in:

Scientific Reports, 2016, p. 38772, doi. 10.1038/srep38772

By:

Solomon, Jonathan M.;
Shamblin, Jacob;
Lang, Maik;
Navrotsky, Alexandra;
Asta, Mark

Publication type:

Article

Origin and Quenching of Novel ultraviolet and blue emission in NdGaO3: Concept of Super-Hydrogenic Dopants.

Published in:

Scientific Reports, 2016, p. 36352, doi. 10.1038/srep36352

By:

Ghosh, Siddhartha;
Saha, Surajit;
Liu, Zhiqi;
Motapothula, M.;
Patra, Abhijeet;
Yakovlev, Nikolai;
Cai, Yao;
Prakash, Saurav;
Huang, Xiao Hu;
Tay, Chuan Beng;
Cong, Chun Xiao;
Bhatt, Thirumaleshwara;
Dolmanan, Surani B.;
Chen, Jianqiang;
Lü, Weiming;
Huang, Zhen;
Tripathy, Sudhiranjan;
Chua, Soo Jin;
Yu, Ting;
Asta, Mark

Publication type:

Article

A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds.

Published in:

Scientific Reports, 2016, p. 34256, doi. 10.1038/srep34256

By:

de Jong, Maarten;
Chen, Wei;
Notestine, Randy;
Persson, Kristin;
Ceder, Gerbrand;
Jain, Anubhav;
Asta, Mark;
Gamst, Anthony

Publication type:

Article

Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids.

Published in:

Scientific Reports, 2015, v. 5, n. 1, p. 17429, doi. 10.1038/srep17429

By:

Ding, Jun;
Ma, Evan;
Asta, Mark;
Ritchie, Robert O.

Publication type:

Article

Ferritic Alloys with Extreme Creep Resistance via Coherent Hierarchical Precipitates.

Published in:

Scientific Reports, 2015, p. 16327, doi. 10.1038/srep16327

By:

Song, Gian;
Sun, Zhiqian;
Li, Lin;
Xu, Xiandong;
Rawlings, Michael;
Liebscher, Christian H.;
Clausen, Bjørn;
Poplawsky, Jonathan;
Leonard, Donovan N.;
Huang, Shenyan;
Teng, Zhenke;
Liu, Chain T.;
Asta, Mark D.;
Gao, Yanfei;
Dunand, David C.;
Ghosh, Gautam;
Chen, Mingwei;
Fine, Morris E.;
Liaw, Peter K.

Publication type:

Article

Real time imaging of two-dimensional iron oxide spherulite nanostructure formation.

Published in:

Nano Research, 2019, v. 12, n. 11, p. 2889, doi. 10.1007/s12274-019-2531-4

By:

Zheng, Wenjing;
Hauwiller, Matthew R.;
Liang, Wen-I;
Ophus, Colin;
Ercius, Peter;
Chan, Emory M.;
Chu, Ying-Hao;
Asta, Mark;
Du, Xiwen;
Alivisatos, A. Paul;
Zheng, Haimei

Publication type:

Article

Tacking Directional Movement of Nanomotors with Liquid Cell Electron Microscopy.

Published in:

2022

By:

Wan, Jiawei;
Zhang, Qiubo;
Asta, Mark;
Zheng, Haimei

Publication type:

Abstract

4D-STEM Imaging of nanostructural heterogeneities in Ni-20Cr after corrosion in molten salt.

Published in:

2021

By:

Yang, Yang;
Zhou, Weiyue;
Yin, Sheng;
Wang, Sarah;
Yu, Qin;
Ritchie, Robert;
Asta, Mark;
Li, Ju;
Short, Michael;
Minor, Andrew

Publication type:

Abstract

In situ observations and measurements of plastic deformation, phase transformations and fracture with 4D-STEM.

Published in:

2021

By:

Yang, Yang;
Zhang, Ruopeng;
Zhao, Shiteng;
Deng, Yu;
Yu, Qin;
Zeltmann, Steven;
Yin, Sheng;
Ciston, Jim;
Ophus, Colin;
Asta, Mark;
Ritchie, Robert;
Minor, Andrew

Publication type:

Abstract

4D-STEM Imaging of nanostructural heterogeneities in Ni-20Cr after corrosion in molten salt.

Published in:

2021

By:

Yang, Yang;
Zhou, Weiyue;
Yin, Sheng;
Wang, Sarah;
Yu, Qin;
Ritchie, Robert;
Asta, Mark;
Li, Ju;
Short, Michael;
Minor, Andrew

Publication type:

Abstract

In situ observations and measurements of plastic deformation, phase transformations and fracture with 4D-STEM.

Published in:

2021

By:

Yang, Yang;
Zhang, Ruopeng;
Zhao, Shiteng;
Deng, Yu;
Yu, Qin;
Zeltmann, Steven;
Yin, Sheng;
Ciston, Jim;
Ophus, Colin;
Asta, Mark;
Ritchie, Robert;
Minor, Andrew

Publication type:

Abstract

Imaging Short-range Order and Extracting 3-D Strain Tensor Using Energy-filtered 4D-STEM Techniques.

Published in:

2020

By:

Zhang, Ruopeng;
Zeltmann, Steven;
Ophus, Colin;
Savitzky, Benjamin;
Pekin, Thomas;
Rothchild, Eric;
Bustillo, Karen;
Asta, Mark;
Chrzan, Daryl;
Minor, Andrew

Publication type:

Abstract