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Thermodynamic theory of dislocation-mediated plasticity
Accelerated search for materials with targeted properties by adaptive design
- D. Xue, P. Balachandran, J. Hogden, J. Theiler, D. Xue, T. Lookman
- Materials ScienceNature communications
- 15 April 2016
This strategy uses inference and global optimization to balance the trade-off between exploitation and exploration of the search space, and finds very low thermal hysteresis (ΔT) NiTi-based shape memory alloys, with Ti50.0Ni46.7Cu0.8Fe2.3Pd0.2 possessing the smallest ΔT (1.84 K).
Dynamic strain loading of cubic to tetragonal martensites
Machine Learning Strategy for Accelerated Design of Polymer Dielectrics
- A. Mannodi-Kanakkithodi, G. Pilania, T. D. Huan, T. Lookman, R. Ramprasad
- BiologyScientific reports
- 15 February 2016
This work addresses the issue of accelerating polymer dielectrics design by extracting learning models from data generated by accurate state-of-the-art first principles computations for polymers occupying an important part of the chemical subspace.
Adaptive Strategies for Materials Design using Uncertainties
- P. Balachandran, D. Xue, J. Theiler, J. Hogden, T. Lookman
- Materials ScienceScientific reports
- 21 January 2016
Comparing several adaptive design strategies using a data set of 223 M2AX family of compounds for which the elastic properties have been computed using density functional theory finds that selectors that use information about the prediction uncertainty outperform those that don’t.
Computer simulation of the main gel–fluid phase transition of lipid bilayers
Monte Carlo techniques have been applied to a study of two related quasi‐two‐dimensional microscopic interaction models which describe the phase behavior of phospholipid bilayers. The two models are…
Chaotic time series analyses of epileptic seizures
Ferroelastic dynamics and strain compatibility
We derive underdamped evolution equations for the order-parameter (OP) strains of a proper ferroelastic material undergoing a structural transition, using Lagrangian variations with Rayleigh…
An informatics approach to transformation temperatures of NiTi-based shape memory alloys