Search Results - "Lookman, T"

Materials informatics: From the atomic-level to the continuum by Rickman, J.M., Lookman, T., Kalinin, S.V.

“…In recent years materials informatics, which is the application of data science to problems in materials science and engineering, has emerged as a powerful…”
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Multi-fidelity machine learning models for accurate bandgap predictions of solids by Pilania, G., Gubernatis, J.E., Lookman, T.

“…[Display omitted] We present a multi-fidelity co-kriging statistical learning framework that combines variable-fidelity quantum mechanical calculations of…”
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Machine learning bandgaps of double perovskites by Pilania, G., Mannodi-Kanakkithodi, A., Uberuaga, B. P., Ramprasad, R., Gubernatis, J. E., Lookman, T.

“…The ability to make rapid and accurate predictions on bandgaps of double perovskites is of much practical interest for a range of applications. While quantum…”
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Three-dimensional imaging of vortex structure in a ferroelectric nanoparticle driven by an electric field by Karpov, D., Liu, Z., Rolo, T. dos Santos, Harder, R., Balachandran, P. V., Xue, D., Lookman, T., Fohtung, E.

“…Topological defects of spontaneous polarization are extensively studied as templates for unique physical phenomena and in the design of reconfigurable…”
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Structure classification and melting temperature prediction in octet AB solids via machine learning by Pilania, G., Gubernatis, J. E., Lookman, T.

“…Machine learning methods are being increasingly used in condensed matter physics and materials science to classify crystals structures and predict material…”
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Strain-induced metal-insulator phase coexistence in perovskite manganites by Ahn, K. H, Lookman, T, Bishop, A. R

“…The coexistence of distinct metallic and insulating electronic phases within the same sample of a perovskite manganite, such as La1-x-yPryCaxMnO3, presents…”
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Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective by Pilania, G., Gubernatis, J. E., Lookman, T.

“…The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal…”
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Mechanical Loss in Multiferroic Materials at High Frequencies: Friction and the Evolution of Ferroelastic Microstructures by Zhao, Z., Ding, X., Lookman, T., Sun, J., Salje, E. K. H.

“…Energy absorption in multiferroic materials stems typically from strain relaxation which can be strong even when no extrinsic defects exist in the material…”
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Coupled nonlinear elasticity, plastic slip, twinning, and phase transformation in single crystal titanium for plate impact loading by Feng, B., Bronkhorst, C.A., Addessio, F.L., Morrow, B.M., Li, W.H., Lookman, T., Cerreta, E.K.

“…High purity single crystal titanium (Ti) under shockwave loading in plate impact experiment is modeled and simulated, with help of the finite element. A…”
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Characterization and modeling of mechanical behavior of single crystal titanium deformed by split-Hopkinson pressure bar by Morrow, B.M., Lebensohn, R.A., Trujillo, C.P., Martinez, D.T., Addessio, F.L., Bronkhorst, C.A., Lookman, T., Cerreta, E.K.

“…Single crystal titanium samples were dynamically loaded using split-Hopkinson pressure bar (SHPB) and the resulting microstructures were examined…”
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High Junction and Twin Boundary Densities in Driven Dynamical Systems by Ding, X., Zhao, Z., Lookman, T., Saxena, A., Salje, E. K. H.

“…A novel mechanism for the generation of device materials with very high domain boundary densities is described: we shear the sample in a computer experiment…”
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Dynamically strained ferroelastics: Statistical behavior in elastic and plastic regimes by Ding, X., Lookman, T., Zhao, Z., Saxena, A., Sun, J., Salje, E. K. H.

“…The dynamic evolution in ferroelastic crystals under external shear is explored by computer simulation of a two-dimensional model. The characteristic…”
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Elastically controlled manipulation of the magnetic order parameter and the metal-insulator transition in a manganite thin film by Singh, Surendra, Fitzsimmons, M. R., Lookman, T., Jeen, H., Biswas, A.

“…We measured the temperature dependence of the saturation magnetization (M sub(s)) of a (La sub(1-x)Pr sub(x)) sub(1-y)Ca sub(y)MnO sub(3) (x ~ 0.60, y ~ 0.33)…”
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How to generate high twin densities in nano-ferroics: Thermal quench and low temperature shear by Salje, E. K. H., Ding, X., Zhao, Z., Lookman, T.

“…High domain boundary densities in ferroic nano materials are generated in computer simulation studies by (1) fast quench from a para-elastic into a…”
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Phase diagram of ferroelastic systems in the presence of disorder: Analytical model and experimental verification by Vasseur, R., Xue, D., Zhou, Y., Ettoumi, W., Ding, X., Ren, X., Lookman, T.

“…There is little consensus on the nature of the glass state and its relationship to other strain states in ferroelastic materials which show the shape memory…”
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Magnetic nonuniformity and thermal hysteresis of magnetism in a manganite thin film by Singh, Surendra, Fitzsimmons, M R, Lookman, T, Thompson, J D, Jeen, H, Biswas, A, Roldan, M A, Varela, M

“…We measured the chemical and magnetic depth profiles of a single crystalline (La(1-x)Pr(x))(1-y)Ca(y)MnO(3-δ) (x=0.52±0.05, y=0.23±0.04, δ=0.14±0.10) film…”
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Classification of ABO3 perovskite solids: a machine learning study by Pilania, G., Balachandran, P. V., Gubernatis, J. E., Lookman, T.

“…We explored the use of machine learning methods for classifying whether a particular ABO3 chemistry forms a perovskite or non‐perovskite structured solid…”
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Role of complex energy landscapes and strains in multiscale inhomogeneities in perovskite manganites by Ahn, K. H., Seman, T. F., Lookman, T., Bishop, A. R.

“…We analyze the essential role played by complex energy landscapes in the nanometer- to micron-scale inhomogeneities observed in perovskite manganites using a…”
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Re-equilibration after quenches in athermal martensites: Conversion delays for vapor-to-liquid domain-wall phases by Shankaraiah, N., Murthy, K. P. N., Lookman, T., Shenoy, S. R.

“…Entropy barriers and aging states appear in martensitic structural-transition models, slowly re-equilibrating after temperature quenches, under Monte Carlo…”
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First-order versus second-order phase transformation in AuZn by Sanati, M., Albers, R. C., Lookman, T., Saxena, A.

“…The first-order versus second-order nature of the phase transition in AuZn has been examined by first-principles calculations. The calculated elastic constants…”
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