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

Avoiding ecosystem and social impacts of hydropower, wind, and solar in Southern Africa’s low-carbon electricity system
Wu, G. C., Deshmukh, R., Trainor, A., Uppal, A., Chowdhury, A. F. M. K., Baez, C., et al. (2024). Avoiding ecosystem and social impacts of hydropower, wind, and solar in Southern Africa’s low-carbon electricity system. Nature Communications, 15, 1083.
Antiphase boundaries in B 2 intermetallics: Proximate structures, formation energies, and chemical stability
Mayer, J. A., Pollock, T. M., Vamsi, K. V., & Seshadri, R. (2024). Antiphase boundaries in B 2 intermetallics: Proximate structures, formation energies, and chemical stability. Physical Review Materials, 8, 013610.
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.
Regional disparities in health and employment outcomes of China’s transition to a low-carbon electricity system
Yang, H., Luo, Q., He, G., Lin, J., Johnson, J., Garcia-Menendez, F., et al. (2024). Regional disparities in health and employment outcomes of China’s transition to a low-carbon electricity system. Environmental Research: Energy, 1, 025001.
High temperature dislocation glide in the MoNbTi refractory multiprincipal element alloy
Jones, M., Fey, L. T. W., & Beyerlein, I. J. (2024). High temperature dislocation glide in the MoNbTi refractory multiprincipal element alloy. Physical Review Materials, 8, 013604.
Composition and Structure of the solid electrolyte interphase on Na-Ion Anodes Revealed by Exo-and Endogenous Dynamic Nuclear Polarization─ NMR Spectroscopy
Steinberg, Y., Sebti, E., Moroz, I., Zohar, A., Alvarez, D., Bendikov, T., et al. (2024). Composition and Structure of the solid electrolyte interphase on Na-Ion Anodes Revealed by Exo-and Endogenous Dynamic Nuclear Polarization─ NMR Spectroscopy. Journal Of The American Chemical Society.
Double-free-layer stochastic magnetic tunnel junctions with synthetic antiferromagnets
Selcuk, K., Kanai, S., Ota, R., Ohno, H., Fukami, S., & Camsari, K. Y. (2024). Double-free-layer stochastic magnetic tunnel junctions with synthetic antiferromagnets. Physical Review Applied, 21, 054002.
Combinatorial quantification of 5mC and 5hmC at individual CpG dyads and the transcriptome in single cells reveals modulators of DNA methylation maintenance fidelity
Chialastri, A., Sarkar, S., Schauer, E., Lamba, S., & Dey, S. S. (2024). Combinatorial quantification of 5mC and 5hmC at individual CpG dyads and the transcriptome in single cells reveals modulators of DNA methylation maintenance fidelity. Nature Structural \& Molecular Biology, 1-13.
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.
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, 36, 1547-1558.
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.
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.
Field-scale crop water consumption estimates reveal potential water savings in California agriculture
Boser, A., Caylor, K., Larsen, A., Pascolini-Campbell, M., Reager, J., & Carleton, T. (2024). Field-scale crop water consumption estimates reveal potential water savings in California agriculture. Nature Communications, 15, 2366.
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.
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.
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.
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.
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.
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, 15, 2495-2508.