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

2024

Accelerated discovery and mapping of block copolymer phase diagrams
Murphy, E. A., Skala, S., Kottage, D., Kohl, P., Li, Y., Zhang, C., et al. (2024). Accelerated discovery and mapping of block copolymer phase diagrams. Physical Review Materials, 8, 015602.
Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2
Chamorro, J., Zuo, J. L., Bassey, E., Watkins, A., Zhu, G., Zohar, A., et al. (2024). Soft-Chemical Synthesis, Structure Evolution, and Insulator-to-Metal Transition in Pyrochlore-like $\lambda$-RhO2. Chemistry Of Materials.
Screening Aluminum-Based Compounds as Low-$\kappa$ Dielectrics for High-Frequency Applications
Morgan, E. E., Zohar, A., Lipkin, S., Monserrat, B., Vaidyanathan, S., Loeffler, D., et al. (2024). Screening Aluminum-Based Compounds as Low-$\kappa$ Dielectrics for High-Frequency Applications. Chemistry Of Materials, 36, 1228-1237.
Room temperature dislocation loop dynamics in body-centered cubic refractory multi-principal element alloys
McNutt, P., Jones, M., Garg, P., & Beyerlein, I. J. (2024). Room temperature dislocation loop dynamics in body-centered cubic refractory multi-principal element alloys. Computational Materials Science, 244, 113280.
Solute-solute interactions in dilute Nb-XO alloys from first principles
Reynolds, C., Pollock, T. M., & Van der Ven, A. (2024). Solute-solute interactions in dilute Nb-XO alloys from first principles. Acta Materialia, 266, 119621.
Role of diffusing interstitials on dislocation glide in refractory body centered cubic metals
Fey, L. T. W., Hunter, A., & Beyerlein, I. J. (2024). Role of diffusing interstitials on dislocation glide in refractory body centered cubic metals. Modelling And Simulation In Materials Science And Engineering, 32, 045001.
Role of stacking fault energy in confined layer slip in nanolaminated Cu
Ji, W., Jian, W. -R., Su, Y., Xu, S., & Beyerlein, I. J. (2024). Role of stacking fault energy in confined layer slip in nanolaminated Cu. Journal Of Materials Science, 59, 4775-4787.
Fundamental Thermodynamic, Kinetic, and Mechanical Properties of Lithium and Its Alloys
Behara, S. S., Thomas, J., & Van der Ven, A. (2024). Fundamental Thermodynamic, Kinetic, and Mechanical Properties of Lithium and Its Alloys. Chemistry Of Materials.
Climate change reduces long-term population benefits from no-take marine protected areas through selective pressures on species movement
Caughman, A., Gaines, S. D., & Bradley, D. (2024). Climate change reduces long-term population benefits from no-take marine protected areas through selective pressures on species movement. Global Change Biology, 30, e17240.
A nuclear jamming transition in vertebrate organogenesis
Kim, S., Amini, R., Yen, S. -T., i\vsil, P., Boutillon, A., Deniz, I., & As, O. C. \. (2024). A nuclear jamming transition in vertebrate organogenesis. Nature Materials, 1-8.
Ancient secretory pathways contributed to the evolutionary origin of an ecologically impactful bioluminescence system
Mesrop, L., Minsky, G., Drummond, M., Goodheart, J. A., Proulx, S. R., & Oakley, T. H. (2024). Ancient secretory pathways contributed to the evolutionary origin of an ecologically impactful bioluminescence system. Biorxiv, 2024-05.
Data-driven texture design for reducing elastic and plastic anisotropy in titanium alloys
Ahmadikia, B., Paraskevas, O., Van Hyning, W., Hestroffer, J., Beyerlein, I. J., & Thrampoulidis, C. (2024). Data-driven texture design for reducing elastic and plastic anisotropy in titanium alloys. Acta Materialia, 265, 119585.
Preserving Positivity: Developments in Density-Explicit Field-Theoretic Simulations
Quah, T., Shen, K., Delaney, K., & Fredrickson, G. (2024). Preserving Positivity: Developments in Density-Explicit Field-Theoretic Simulations. Bulletin Of The American Physical Society.
Deformation mechanisms and defect structures in Heusler intermetallic MnCu2Al
Rhodes, B., Mayer, J. A., Xu, S., Lamb, J., Wendorf, J., Echlin, M. L. P., et al. (2024). Deformation mechanisms and defect structures in Heusler intermetallic MnCu2Al. Acta Materialia, 268, 119711.
Fidelity and variability in the interlayer electronic structure of the kagome superconductor CsV 3 Sb 5
Watkins, A., Johrendt, D., Vlcek, V., Wilson, S. D., & Seshadri, R. (2024). Fidelity and variability in the interlayer electronic structure of the kagome superconductor CsV 3 Sb 5. Physical Review Materials, 8, 054204.
Inverse design of pore wall chemistry and topology through active learning of surface group interactions
Jiao, S., & Shell, S. (2024). Inverse design of pore wall chemistry and topology through active learning of surface group interactions. The Journal Of Chemical Physics, 160.
Computation of Overhauser dynamic nuclear polarization processes reveals fundamental correlation between water dynamics, structure, and solvent restructuring entropy
Brown, D., Webber, T., Casey, T., Franck, J., Shell, S., & Han, S. (2024). Computation of Overhauser dynamic nuclear polarization processes reveals fundamental correlation between water dynamics, structure, and solvent restructuring entropy. Physical Chemistry Chemical Physics, 26, 14637-14650.
Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions
Moon, J., Webber, T., Brown, D. R., Richardson, P. M., Casey, T., Segalman, R. A., et al. (2024). Nanoscale water—polymer interactions tune macroscopic diffusivity of water in aqueous poly (ethylene oxide) solutions. Chemical Science.
The Asteroseismological Richness of RCB and dLHdC Stars
Wong, T. L. S., & Bildsten, L. (2024). The Asteroseismological Richness of RCB and dLHdC Stars. The Astrophysical Journal, 962, 20.
Analysis of the high cracking resistance of a Co Ni superalloy during laser additive manufacturing
Lamb, J., Pusch, K., Polonsky, A., Forsik, S. \, Zhou, N., Dicus, A., et al. (2024). Analysis of the high cracking resistance of a Co Ni superalloy during laser additive manufacturing. Scripta Materialia, 239, 115770.