activity
20032026
most citedAFLOW: An automatic framework for high-throughput materials discovery

1.6k citations · 7.9k across the 92 of their papers we have counts for

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Showing 2018 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2018

Factors controlling oxygen interstitial diffusion in the Ruddlesden-Popper oxide La2-xSrxNiO4+delta

Shenzhen Xu, Ryan Jacobs, Dane Morgan

The development of Ruddlesden-Popper (RP) oxides as oxygen exchange and transport materials will benefit from mechanistic understanding of how oxygen transports through these mater…

cond-mat.mtrl-sci2018★ 25 cited

Combined ab initio and empirical model of the thermal conductivity of uranium, uranium-zirconium, and uranium-molybdenum

Shuxiang Zhou, Ryan Jacobs, Wei Xie +3

In this work we developed a practical and general modeling approach for thermal conductivity of metals and metal alloys that integrates ab initio and semiempirical physics-based mo…

cond-mat.mtrl-sci2018★ 89 cited

Thermodynamics and kinetics of core-shell versus appendage co-precipitation morphologies: An example in the Fe-Cu-Mn-Ni-Si system

Shipeng Shu, Peter B. Wells, Nathan Almirall +2

What determines precipitate morphologies in co-precipitating alloy systems? We focus on alloys of two precipitating phases, with precipitates of the fast-precipitating phase acting…

cond-mat.mtrl-sci2018★ 255 cited

Predicting the thermodynamic stability of perovskite oxides using machine learning models

Wei Li, Ryan Jacobs, Dane Morgan

Perovskite materials have become ubiquitous in many technologically relevant applications, ranging from catalysts in solid oxide fuel cells to light absorbing layers in solar photo…

cond-mat.mtrl-sci2018★ 59 cited

First-principles investigation on diffusion mechanism of alloying elements in dilute Zr alloys

Hai-Jin Lu, Henry Wu, Nan Zou +3

Impurity diffusion in Zr is potentially important for many applications of Zr alloys, and in particular for their use of nuclear reactor cladding. However, significant uncertainty…

cond-mat.mtrl-sci2018★ 207 cited

Material Discovery and Design Principles for Stable, High Activity Perovskite Cathodes for Solid Oxide Fuel Cells

Ryan Jacobs, Tam Mayeshiba, John Booske +1

Critical to the development of improved solid oxide fuel cell (SOFC) technology are novel compounds with high oxygen reduction reaction (ORR) catalytic activity and robust stabilit…