1,351 research outputs found

    Does hybrid density functional theory predict a non-magnetic ground state for delta-Plutonium?

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    Hybrid density functionals, which replaces a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of delta-Plutonium. The fractions of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. A non-magnetic ground state was realized for 55% HF contribution; otherwise the ground state was anti-ferromagnetic. The 5f electrons tend to exhibit slight delocalization or itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the degree of 5f electron localization increasing with the amount of HF exchange. Overall, the performance of the hybrid density functionals do not seem superior to pure density functionals for delta-Plutonium.Comment: 24 pages (double spaced), 5 figures, 1 tabl

    Study of radiation effects in Li-doped silicon solar cells Quarterly report

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    Irradiation and annealing of lithium doped silicon solar cell

    Charged particle radiation damage in semiconductors. Part 14 - Study of radiation effects in lithium doped silicon solar cells

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    Lithium doped silicon solar cells under electron irradiation and determination of semiconductor parameter

    Biaya Kualitas Sebagai Usaha Perbaikan Kualitas Proses Produksi Dalam Rangka Mengurangi Produk Cacat

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    Manajemen produksi sebagai salah satu elemen penting dalam system manajemen Perusahaan, dengan kualitas proses produksi sebagai aspek penting yang ada didalamnya, memberikan andil cukup besar dalam kompetisi Perusahaan pada era persaingan yang semakin ketat. Dengan perencanaan proses produksi yang baik, ternyata jumlah produk cacat yang terjadi tidak mengalami penurunan yang signifikan. Hal ini terlihat dari hasil pengukuran kualitas proses yang dilakukan dengan menggunakan bantuan peta kendali jenis p dengan tingkat penolakan produksi sebagai variabel penelitian. Biaya kualitas yang merupakan indikator tak langsung dari kualitas proses merupakan variable penelitian lainnya yang diteliti. Selanjutnya digunakan diagram pareto untuk menganalisa kelompok biaya yang dominan, aktivitas yang dominan dan pengendalian kualitas (QC) yang menghasilkan biaya dominan. Berdasarkan hasil analisa Pareto dan Peta Kendali, maka dapat diindentifikasi faktor-faktor yang mempengaruhi kualitas proses produksi serta berpotensi menghasilkan biaya kualitas yang dominant, dengan menggunakan Diagram Tulang Ikan. Mengacu pada hasil identifikasi tersebut kemudian direkomendasikan beberapa usulan perbaikan sebagai bahan pertimbangan untuk meningkatkan kualitas proses produksinya. Katakunci: kualitas proses produksi, peta kendali, biaya kualitas, diagram pareto, diagram tulang ika

    Atomistic simulation of nearly defect-free models of amorphous silicon: An information-based approach

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    We present an information-based total-energy optimization method to produce nearly defect-free structural models of amorphous silicon. Using geometrical, structural and topological information from disordered tetrahedral networks, we have shown that it is possible to generate structural configurations of amorphous silicon, which are superior than the models obtained from conventional reverse Monte Carlo and molecular-dynamics simulations. The new data-driven hybrid approach presented here is capable of producing atomistic models with structural and electronic properties which are on a par with those obtained from the modified Wooten-Winer-Weaire (WWW) models of amorphous silicon. Structural, electronic and thermodynamic properties of the hybrid models are compared with the best dynamical models obtained from using machine-intelligence-based potentials and efficient classical molecular-dynamics simulations, reported in the recent literature. We have shown that, together with the WWW models, our hybrid models represent one of the best structural models so far produced by total-energy-based Monte Carlo methods in conjunction with experimental diffraction data and a few structural constraints.Comment: 5 pages, 4 figure

    Effect of Microcrystalline Cellulose, Species, and Particle Size on Mechanical and Physical Properties of Particleboard

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    Particleboards made from both sweetgum (Liquidambar styraciflua) and southern pine (Pinus spp.) were made at a small and large particle size and at 0 and 10% microcrystalline cellulose loading. Modulus of rupture, modulus of elasticity, work to maximum force, and thickness swell (after 2 and 24 h) were measured for all treatment combinations. An increase in particle size had a positive influence on mechanical properties but also allowed for more thickness swell, particularly for the southern pine furnish. Conversely, adding cellulose actually decreased mechanical properties, increased thickness swell, and decreased springback. In the field, the ability to manipulate particle size to control particleboard mechanical properties is perhaps more cost-effective and practical than cellulose addition. Replacing southern pine with sweetgum was viable with equal or better mechanical and physical properties. This suggests that the hardwood species could be a feasible substitute for pine as the demand for woody resources in the southern US continues to grow
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