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

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.
Transition Metal Impurities as Shallow Donors in $\beta$-Ga2O3
Karbasizadeh, S., Mu, S., Turiansky, M. E., & Van de Walle, C. G. (2024). Transition Metal Impurities as Shallow Donors in $\beta$-Ga2O3. Physica Status Solidi (Rrl)&Mdash;Rapid Research Letters, 2300500.
Quantification of melt pool dynamics and microstructure during simulated additive manufacturing
Lamb, J., Ochoa, R., Eres-Castellanos, A., Klemm-Toole, J., Echlin, M. L. P., Sun, T., et al. (2024). Quantification of melt pool dynamics and microstructure during simulated additive manufacturing. Scripta Materialia, 245, 116036.
Engineering the Kitaev spin liquid in a quantum dot system
Cookmeyer, T., & Sarma, S. (2024). Engineering the Kitaev spin liquid in a quantum dot system. Physical Review Letters, 132, 186501.
Similar enzymatic functions in distinct bioluminescence systems: evolutionary recruitment of sulfotransferases in ostracod light organs
Lau, E., Goodheart, J. A., Anderson, N., Liu, V., Mukherjee, A., & Oakley, T. H. (2024). Similar enzymatic functions in distinct bioluminescence systems: evolutionary recruitment of sulfotransferases in ostracod light organs. Biology Letters, 20, 20230585.
Symmetry breaking in zero-field two-dimensional electron bilayers
Cookmeyer, T., & Sarma, S. (2024). Symmetry breaking in zero-field two-dimensional electron bilayers. Physical Review B, 109, 115307.
Engineering the in-plane anomalous Hall effect in Cd 3 As 2 thin films
Miao, W., Guo, B., Stemmer, S., & Dai, X. (2024). Engineering the in-plane anomalous Hall effect in Cd 3 As 2 thin films. Physical Review B, 109, 155408.
Room-temperature magnetic thermal switching by suppressing phonon-magnon scattering
Zhang, F., Patra, L., Chen, Y., Ouyang, W., Sarte, P. M., Adajian, S., et al. (2024). Room-temperature magnetic thermal switching by suppressing phonon-magnon scattering. Physical Review B, 109, 184411.
Regional benthic $\delta$18O stacks for the “41-Kyr world”—An Atlantic-Pacific divergence between 1.8 and 1.9 Ma
Zhou, Y., Lisiecki, L., Lee, T., Gebbie, G., & Lawrence, C. (2024). Regional benthic $\delta$18O stacks for the “41-Kyr world”—An Atlantic-Pacific divergence between 1.8 and 1.9 Ma. Geophysical Research Letters, 51, e2023GL107858.
Multiscale Computational Study of Cellulose Acetate—Water Miscibility: Insights from Molecularly Informed Field-Theoretic Modeling
Nguyen, M., Sherck, N., Köhler, S., Schreiner, E., Gupta, R., Fredrickson, G. H., & Shell, S. (2024). Multiscale Computational Study of Cellulose Acetate—Water Miscibility: Insights from Molecularly Informed Field-Theoretic Modeling. Biomacromolecules.
Chemical short-range order enhances fracture toughness of medium entropy alloy CoCrNi
Jian, W. -R., Xu, S., Chen, D., & Beyerlein, I. J. (2024). Chemical short-range order enhances fracture toughness of medium entropy alloy CoCrNi. Applied Physics Letters, 124.
Analysis of the high cracking resistance of a Co Ni superalloy during laser additive manufacturing
Lamb, J., Pusch, K., Polonsky, A., Forsik, S. \, Zhou, N., Dicus, A., et al. (2024). Analysis of the high cracking resistance of a Co Ni superalloy during laser additive manufacturing. Scripta Materialia, 239, 115770.
Data-driven texture design for reducing elastic and plastic anisotropy in titanium alloys
Ahmadikia, B., Paraskevas, O., Van Hyning, W., Hestroffer, J., Beyerlein, I. J., & Thrampoulidis, C. (2024). Data-driven texture design for reducing elastic and plastic anisotropy in titanium alloys. Acta Materialia, 265, 119585.
Extraordinary Thermoelectric Properties of Topological Surface States in Quantum-Confined Cd3As2 Thin Films
Ouyang, W., Lygo, A., Chen, Y., Zheng, H., Vu, D., Wooten, B., et al. (2024). Extraordinary Thermoelectric Properties of Topological Surface States in Quantum-Confined Cd3As2 Thin Films. Advanced Materials, 2311644.
Screening Aluminum-Based Compounds as Low-$\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.
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.