Výsledky vyhledávání - "John W. Lawson"

Akademický článek

A high-throughput framework for lattice dynamics

Autor: Zhuoying Zhu, Junsoo Park, Hrushikesh Sahasrabuddhe, Alex M. Ganose, Rees Chang, John W. Lawson, Anubhav Jain

Publikováno v: npj Computational Materials, Vol 10, Iss 1, Pp 1-14 (2024)

Abstract We develop an automated high-throughput workflow for calculating lattice dynamical properties from first principles including those dictated by anharmonicity. The pipeline automatically computes interatomic force constants (IFCs) up to 4th o

Externí odkaz: https://doaj.org/article/77f464381a164b6093e2e3e1b9961a8b

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Akademický článek

Utilizing local phase transformation strengthening for nickel-base superalloys

Autor: Timothy M. Smith, Nikolai A. Zarkevich, Ashton J. Egan, Joshua Stuckner, Timothy P. Gabb, John W. Lawson, Michael J. Mills

Publikováno v: Communications Materials, Vol 2, Iss 1, Pp 1-9 (2021)

There is an ongoing need to increase the operating temperature of jet engines, requiring new high-temperature materials. Here, local phase transformations at superlattice stacking faults contribute to a three times improvement in creep strength in a

Externí odkaz: https://doaj.org/article/c87f8981844a4e55ab27c3d72542d7f7

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Akademický článek

Discovery of novel Li SSE and anode coatings using interpretable machine learning and high-throughput multi-property screening

Autor: Shreyas J. Honrao, Xin Yang, Balachandran Radhakrishnan, Shigemasa Kuwata, Hideyuki Komatsu, Atsushi Ohma, Maarten Sierhuis, John W. Lawson

Publikováno v: Scientific Reports, Vol 11, Iss 1, Pp 1-14 (2021)

Abstract All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes and protective anode coati

Externí odkaz: https://doaj.org/article/37686c572ef540209ea878aa69aff0be

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Akademický článek

Energy-Composition Relations in Ni3(Al1−xXx) Phases

Autor: Nikolai A. Zarkevich, Timothy M. Smith, John W. Lawson

Publikováno v: Crystals, Vol 13, Iss 6, p 943 (2023)

The secondary phase, such as Ni3Al-based L12 γ′, is crucially important for the precipitation strengthening of superalloys. Composition–structure–property relations provide useful insights for guided alloy design. Here we use density functiona

Externí odkaz: https://doaj.org/article/6f2cc32f2c774238af1aae7c33d2d1a7

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Akademický článek

Compositional Glass: A State with Inherent Chemical Disorder, Exemplified by Ti-rich Ni3(Al,Ti)1 D024 Phase

Autor: Nikolai A. Zarkevich, Timothy M. Smith, Eli N. Baum, John W. Lawson

Publikováno v: Crystals, Vol 12, Iss 8, p 1049 (2022)

A compositional glass is a state with an unavoidable disorder in chemical compositions on each site, characterized by frustration and freezing of the compositional degrees of freedom at low temperature. From this state a full atomic long-range order

Externí odkaz: https://doaj.org/article/8e9abab170df4eec820fa43c9def4d20

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