Hult, Francis M.; Compton, Sarah E.
The role of languages is a central issue in deaf education. The function of sign languages in education and deaf students' opportunities to develop linguistic abilities in both sign languages and the dominant language(s) of a society are key considerations (Hogan-Brun 2009; Reagan 2010, 53; Swanwick 2010a). Accordingly, what Kaplan and Baldauf…
Chen, Jiatong; Yin, Ke; Xia, Yi; Ozolins, Vidvuds; Osher, Stanley; Caflisch, Russel
Wannier functions have applications in numerous fields of condensed matter physics, from polarization and orbital magnetization to topological insulators and linear-scaling methods for electronic structure calculations. We present a technique to calculate symmetry-adapted Wannier functions that are strictly localized within a finite region based on the framework of compressed Wannier modes [V. Ozolins, R. Lai, R. Caflisch, S. Osher. Proc. Natl. Acad. Sci. USA 2014 111 (5) 1691-1696]. Our method does not require a prior computation of the band structure, but directly minimizes a functional that is the sum of the total energy and an L1 regularization term 1/μ ∫ | Ψ | dr , which drives strict localization. One parameter μ controls the trade-off between the localization and the energy accuracy. Here we show how symmetry constraints can be incorporated in this formalism, leading to Wannier functions that form irreducible representations of the crystal group. Since only k points from the irreducible wedge of the Brillouin zone need to be considered, the computational effort is similar to that required for conventional band structure calculations.
YaJuan, Guo; JianFeng, Jia; XiaoHua, Wang; Ying, Ren; HaiShun, Wu
This article has been retracted: please see Elsevier Policy on Article Withdrawal (http://www.elsevier.com/locate/withdrawalpolicy).This article has been retracted at the request of the Editor-in-Chief.The Authors have plagiarized part of a paper that had already appeared in: V. Ozolins, E. H. Majzoub and C. Wolverton, First-Principles Prediction of Thermodynamically Reversible Hydrogen Storage Reactions in the Li-Mg-Ca-B-H System, J. Am. Chem. Soc. 131 (2009) 230-237; DOI:http://dx.doi.org/10.1021/ja8066429.One of the conditions of submission of a paper for publication is that authors declare explicitly that their work is original and has not appeared in a publication elsewhere. Re-use of any data should be appropriately cited. As such this article represents a severe abuse of the scientific publishing system. The scientific community takes a very strong view on this matter and apologies are offered to readers of the journal that this was not detected during the submission process.
Lesch, David A; Adriaan Sachtler, J.W. J.; Low, John J; Jensen, Craig M; Ozolins, Vidvuds; Siegel, Don; Harmon, Laurel
UOP LLC, a Honeywell Company, Ford Motor Company, and Striatus, Inc., collaborated with Professor Craig Jensen of the University of Hawaii and Professor Vidvuds Ozolins of University of California, Los Angeles on a multi-year cost-shared program to discover novel complex metal hydrides for hydrogen storage. This innovative program combined sophisticated molecular modeling with high throughput combinatorial experiments to maximize the probability of identifying commercially relevant, economical hydrogen storage materials with broad application. A set of tools was developed to pursue the medium throughput (MT) and high throughput (HT) combinatorial exploratory investigation of novel complex metal hydrides for hydrogen storage. The assay programs consisted of monitoring hydrogen evolution as a function of temperature. This project also incorporated theoretical methods to help select candidate materials families for testing. The Virtual High Throughput Screening served as a virtual laboratory, calculating structures and their properties. First Principles calculations were applied to various systems to examine hydrogen storage reaction pathways and the associated thermodynamics. The experimental program began with the validation of the MT assay tool with NaAlH4/0.02 mole Ti, the state of the art hydrogen storage system given by decomposition of sodium alanate to sodium hydride, aluminum metal, and hydrogen. Once certified, a combinatorial 21-point study of the NaAlH4 LiAlH4Mg(AlH4)2 phase diagram was investigated with the MT assay. Stability proved to be a problem as many of the materials decomposed during synthesis, altering the expected assay results. This resulted in repeating the entire experiment with a mild milling approach, which only temporarily increased capacity. NaAlH4 was the best performer in both studies and no new mixed alanates were observed, a result consistent with the VHTS. Powder XRD suggested that the reverse reaction, the regeneration of the