Mark Asta - Dissemin

Papers authored by Mark Asta

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2013 Keith G. Ray, David L. Olmsted, Yao Houndonougbo, Brian B. Laird, Mark Asta

Origins of CH₄/CO₂ Adsorption Selectivity in Zeolitic Imidazolate Frameworks: A van der Waals Density Functional Study

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T. Frolov, S. V. Divinski, M. Asta

, Y. Mishin

Effect of Interface Phase Transformations on Diffusion and Segregation in High-Angle Grain Boundaries

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Colin Ophus, Melissa K. Santala, Mark Asta

, Velimir Radmilovic

Structure and phase transitions at the interface between α-Al₂O₃and Pt

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Timofey Frolov, David L. Olmsted, Mark Asta

, Yuri Mishin

Structural Phase Transformations in Metallic Grain Boundaries

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Yao Houndonougbo, Christopher Signer, Ning He, William Morris, Hiroyasu Furukawa, Keith G. Ray, David L. Olmsted, Mark Asta

, Brian B. Laird, Omar M. Yaghi

A Combined Experimental–Computational Investigation of Methane Adsorption and Selectivity in a Series of Isoreticular Zeolitic Imidazolate Frameworks

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Vidvuds Ozoliņš

, Fei Zhou

, Mark Asta

Ruthenia-Based Electrochemical Supercapacitors: Insights from First-Principles Calculations

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Z. Sun, C. H. Liebscher, S. Huang, Z. Teng, G. Song, G. Wang, M. Asta

, M. Rawlings, M. E. Fine, P. K. Liaw

New design aspects of creep-resistant NiAl-strengthened ferritic alloys

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Yang Yang, Mark Asta

, Brian B. Laird

Solid-Liquid Interfacial Premelting

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2012 Maarten de Jong, David L. Olmsted, Axel van de Walle, Mark Asta

First-principles study of the structural and elastic properties of rhenium-based transition-metal alloys

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S. J. Fensin, M. Asta

, R. G. Hoagland

Temperature dependence of the structure and shear response of a Σ11 asymmetric tilt grain boundary in copper from molecular-dynamics

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T. Radetic, C. Ophus, D. L. Olmsted, M. Asta

, U. Dahmen

Mechanism and dynamics of shrinking island grains in mazed bicrystal thin films of Au

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Timofey Frolov, Mark Asta

Step Free Energies at Faceted Solid-Liquid Interfaces from Equilibrium Molecular Dynamics Simulations

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C. H. Liebscher, V. Radmilovic, U. Dahmen, M. Asta

, G. Ghosh

On the formation of hierarchically structured L2 1 -Ni2TiAl type precipitates in a ferritic alloy

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Ari Adland, Alain Karma, Robert Spatschek, Dorel Buta, Mark Asta

Phase-field-crystal study of grain boundary premelting and shearing in bcc iron

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William Morris, Ning He, Keith G. Ray, Peter Klonowski, Hiroyasu Furukawa, Isaak N. Daniels, Yao A. Houndonougbo, Mark Asta

, Omar M. Yaghi, Brian B. Laird

A Combined Experimental-Computational Study on the Effect of Topology on Carbon Dioxide Adsorption in Zeolitic Imidazolate Frameworks

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Hong Ding, Shenyan Huang, Gautam Ghosh, Peter K. Liaw, Mark Asta

A computational study of impurity diffusivities for 5d transition metal solutes in α-Fe

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Yang Yang, David L. Olmsted, Mark Asta

, Brian B. Laird

Atomistic characterization of the chemically heterogeneous Al–Pb solid–liquid interface

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J. A. Aguiar

, Q. M. Ramasse, M. Asta

, N. D. Browning

Investigating the electronic structure of fluorite-structured oxide compounds: comparison of experimental EELS with first principles calculations

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Isaac M. Markus, Nicole Adelstein, Mark Asta

, Lutgard C. DeJonghe

Ab Initio Calculation of the Energy Landscape for Protons in DyPO4

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Jonathan Solomon, Nicole Adelstein, Mark Asta

, Lutgard C. De Jonghe

Charge-Compensating Pyrophosphate Defect Structures in Sr-doped LaPO4

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Papers authored by Mark Asta