27,141 research outputs found

    Prediction of light aircraft interior noise

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    A computerized interior noise prediction method for light aircraft is described. An existing analytical program, development for commercial jets, forms the basis of some modal analysis work which is described. The accuracy of this modal analysis technique for predicting low-frequency coupled acoustic-structural natural frequencies is discussed along with trends indicating the effects of varying parameters such as fuselage length and diameter, structural stiffness, and interior acoustic absorption

    Equation of state of metallic hydrogen from Coupled Electron-Ion Monte Carlo simulations

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    We present a study of hydrogen at pressures higher than molecular dissociation using the Coupled Electron-Ion Monte Carlo method. These calculations use the accurate Reptation Quantum Monte Carlo method to estimate the electronic energy and pressure while doing a Monte Carlo simulation of the protons. In addition to presenting simulation results for the equation of state over a large region of phase space, we report the free energy obtained by thermodynamic integration. We find very good agreement with DFT calculations for pressures beyond 600 GPa and densities above ρ=1.4g/cm3\rho=1.4 g/cm^3. Both thermodynamic as well as structural properties are accurately reproduced by DFT calculations. This agreement gives a strong support to the different approximations employed in DFT, specifically the approximate exchange-correlation potential and the use of pseudopotentials for the range of densities considered. We find disagreement with chemical models, which suggests a reinvestigation of planetary models, previously constructed using the Saumon-Chabrier-Van Horn equations of state.Comment: 9 pages, 7 figure

    Auxiliary-field quantum Monte Carlo calculations of the structural properties of nickel oxide

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    Auxiliary-field quantum Monte Carlo (AFQMC) has repeatedly demonstrated itself as one of the most accurate quantum many-body methods, capable of simulating both real and model systems. In this article we investigate the application of AFQMC to realistic strongly correlated materials in periodic Gaussian basis sets. Using nickel oxide (NiO) as an example, we investigate the importance of finite size effects and basis set errors on the structural properties of the correlated solid. We provide benchmark calculations for NiO and compare our results to both experiment measurements and existing theoretical methods. (LLNL-JRNL-752156)Comment: 10 pages, 5 figures, 1 tabl

    Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo Simulations with Interpolative Separable Density Fitting

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    We investigate the use of interpolative separable density fitting (ISDF) as a means to reduce the memory bottleneck in auxiliary field quantum Monte Carlo (AFQMC) simulations of real materials in Gaussian basis sets. We find that ISDF can reduce the memory scaling of AFQMC simulations from O(M4)\mathcal{O}(M^4) to O(M2)\mathcal{O}(M^2). We test these developments by computing the structural properties of Carbon in the diamond phase, comparing to results from existing computational methods and experiment.Comment: Accepted Versio

    Fermi surface instabilities in CeRh2Si2 at high magnetic field and pressure

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    We present thermoelectric power (TEP) studies under pressure and high magnetic field in the antiferromagnet CeRh2Si2 at low temperature. Under magnetic field, large quantum oscillations are observed in the TEP, S(H), in the antiferromagnetic phase. They suddenly disappear when entering in the polarized paramagnetic (PPM) state at Hc pointing out an important reconstruction of the Fermi surface (FS). Under pressure, S/T increases strongly of at low temperature near the critical pressure Pc, where the AF order is suppressed, implying the interplay of a FS change and low energy excitations driven by spin and valence fluctuations. The difference between the TEP signal in the PPM state above Hc and in the paramagnetic state (PM) above Pc can be explained by different FS. Band structure calculations at P = 0 stress that in the AF phase the 4f contribution at the Fermi level (EF) is weak while it is the main contribution in the PM domain. By analogy to previous work on CeRu2Si2, in the PPM phase of CeRh2Si2 the 4f contribution at EF will drop.Comment: 10 pages, 13 figure
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