Publications

CSC research acknowledged in publications and presentations.

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Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 2308708) at UC Santa Barbara.

Selected Publications

2023

Chemical and structural factors affecting the stability of Wadsley—Roth block phases
Saber, M., Reynolds, C., Li, J., Pollock, T. M., & Van der Ven, A. (2023). Chemical and structural factors affecting the stability of Wadsley—Roth block phases. Inorganic Chemistry, 62, 17317-17332.
Global transcontinental power pools for low-carbon electricity
Yang, H., Deshmukh, R., & Suh, S. (2023). Global transcontinental power pools for low-carbon electricity. Nature Communications, 14, 8350.
Design, Synthesis, and Application of a Water-soluble Photocage for Aqueous Cyclopentadiene-based Diels-Alder Photoclick Chemistry in Hydrogels
Bailey, S. J., Hopkins, E., Rael, K., Hashmi, A., Urue\~na, J., Wilson, M. Z., & de Alaniz, J. R. (2023). Design, Synthesis, and Application of a Water-soluble Photocage for Aqueous Cyclopentadiene-based Diels-Alder Photoclick Chemistry in Hydrogels. Angewandte Chemie International Edition, 62, e202301157.
Photon-rejection power of the Light Dark Matter eXperiment in an 8 GeV beam
AAkesson, T., Bravo, C., Brennan, L., Bryngemark, L., Butti, P., Dukes, C., et al. (2023). Photon-rejection power of the Light Dark Matter eXperiment in an 8 GeV beam. Journal Of High Energy Physics, 2023, 1-30.
Phase-field modeling of dislocation—interstitial interactions
Fey, L. T. W., Reynolds, C., Hunter, A., & Beyerlein, I. J. (2023). Phase-field modeling of dislocation—interstitial interactions. Journal Of The Mechanics And Physics Of Solids, 179, 105370.
A machine learning model to predict yield surfaces from crystal plasticity simulations
Nascimento, A. (2023). A machine learning model to predict yield surfaces from crystal plasticity simulations. International Journal Of Plasticity, 161, 103507.
Polymorphism in Weberite Na2Fe2F7 and its Effects on Electrochemical Properties as a Na-Ion Cathode
Foley, E. E., Wu, V. C., Jin, W., Cui, W., Yoshida, E., Manche, A., & ement, R. ele J. C. \. (2023). Polymorphism in Weberite Na2Fe2F7 and its Effects on Electrochemical Properties as a Na-Ion Cathode. Chemistry Of Materials, 35, 3614-3627.
A Small Tau Fragment Specifically Templates Four Repeat Tau Aggregates Through Multiple Generations.
Longhini, A. P., Dubose, A., Lobo, S., Vijayan, V., Bai, Y., Keane, E., et al. (2023). A Small Tau Fragment Specifically Templates Four Repeat Tau Aggregates Through Multiple Generations. Biorxiv: The Preprint Server For Biology.
Dynamical effects of magnetic opacity in neutron star accretion columns
Sheng, X., Zhang, L., Blaes, O., & Jiang, Y. -F. (2023). Dynamical effects of magnetic opacity in neutron star accretion columns. Monthly Notices Of The Royal Astronomical Society, 524, 2431-2445.
Temperature dependent phase field dislocation dynamics model
Albrecht, C., Beyerlein, I. J., & Jones, M. (2023). Temperature dependent phase field dislocation dynamics model. European Journal Of Mechanics-A/Solids, 100, 104987.
Interaction of extended dislocations with nanovoid clusters
Roach, A., Xu, S., Luscher, D., Gianola, D. S., & Beyerlein, I. J. (2023). Interaction of extended dislocations with nanovoid clusters. International Journal Of Plasticity, 168, 103684.
Grain boundary slip—twin transmission in titanium
Ahmadikia, B., Wang, L., Kumar, A., & Beyerlein, I. J. (2023). Grain boundary slip—twin transmission in titanium. Acta Materialia, 244, 118556.
Metapopulation dynamics of SARS-CoV-2 transmission in a small-scale Amazonian society
Kraft, T., Seabright, E., Alami, S., Jenness, S., Hooper, P., Beheim, B., et al. (2023). Metapopulation dynamics of SARS-CoV-2 transmission in a small-scale Amazonian society. Plos Biology, 21, e3002108.
Dynamical downfolding for localized quantum states
Romanova, M., Weng, G., Apelian, A., & Vl\vcek, V. \vech. (2023). Dynamical downfolding for localized quantum states. Npj Computational Materials, 9, 126.
Relationships between Molecular Structural Order Parameters and Equilibrium Water Dynamics in Aqueous Mixtures
Brown, D., Webber, T., Jiao, S., Mirabal, D. M. R., Han, S., & Shell, S. (2023). Relationships between Molecular Structural Order Parameters and Equilibrium Water Dynamics in Aqueous Mixtures. The Journal Of Physical Chemistry B.
Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys
Zheng, H., Fey, L. T. W., Li, X. -G., Hu, Y. -J., Qi, L., Chen, C., et al. (2023). Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys. Npj Computational Materials, 9, 89.
Extending the diatom’s color palette: non-iridescent, disorder-mediated coloration in marine diatom-inspired nanomembranes
Shapturenka, P., Zakaria, I., Birkholz, F., & Gordon, M. J. (2023). Extending the diatom’s color palette: non-iridescent, disorder-mediated coloration in marine diatom-inspired nanomembranes. Optics Express, 31, 21658-21671.
Exceptional spatial variation of charge injection energies on plasmonic surfaces
Lei, X., Canestraight, A., & Vlcek, V. (2023). Exceptional spatial variation of charge injection energies on plasmonic surfaces. The Journal Of Physical Chemistry Letters, 14, 8470-8476.
Boundary design regulates the diffusion of active matter in heterogeneous environments
Modica, K. J., Omar, A., & Takatori, S. C. (2023). Boundary design regulates the diffusion of active matter in heterogeneous environments. Soft Matter, 19, 1890-1899.
Nonequilibrium interactions between multi-scale colloids regulate the suspension microstructure and rheology
Xu, Y., & Takatori, S. C. (2023). Nonequilibrium interactions between multi-scale colloids regulate the suspension microstructure and rheology. Soft Matter, 19, 8531-8541.