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A new pressure relaxation closure model for two%3CU%2B2010%3Ematerial lagrangian hydrodynamics

Kamm, James R.; Rider, William J.

We present a new model for closing a system of Lagrangian hydrodynamics equations for a two-material cell with a single velocity model. We describe a new approach that is motivated by earlier work of Delov and Sadchikov and of Goncharov and Yanilkin. Using a linearized Riemann problem to initialize volume fraction changes, we require that each material satisfy its own pdV equation, which breaks the overall energy balance in the mixed cell. To enforce this balance, we redistribute the energy discrepancy by assuming that the corresponding pressure change in each material is equal. This multiple-material model is packaged as part of a two-step time integration scheme. We compare results of our approach with other models and with corresponding pure-material calculations, on two-material test problems with ideal-gas or stiffened-gas equations of state.

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TYPE Conference YEAR 2010
OSTI

Peridynamics as a rigorous coarse-graining of atomistics for multiscale materials design

Aidun, John B.; Kamm, James R.; Lehoucq, Richard B.; Parks, Michael L.; Sears, Mark P.; Silling, Stewart A.

This report summarizes activities undertaken during FY08-FY10 for the LDRD Peridynamics as a Rigorous Coarse-Graining of Atomistics for Multiscale Materials Design. The goal of our project was to develop a coarse-graining of finite temperature molecular dynamics (MD) that successfully transitions from statistical mechanics to continuum mechanics. The goal of our project is to develop a coarse-graining of finite temperature molecular dynamics (MD) that successfully transitions from statistical mechanics to continuum mechanics. Our coarse-graining overcomes the intrinsic limitation of coupling atomistics with classical continuum mechanics via the FEM (finite element method), SPH (smoothed particle hydrodynamics), or MPM (material point method); namely, that classical continuum mechanics assumes a local force interaction that is incompatible with the nonlocal force model of atomistic methods. Therefore FEM, SPH, and MPM inherit this limitation. This seemingly innocuous dichotomy has far reaching consequences; for example, classical continuum mechanics cannot resolve the short wavelength behavior associated with atomistics. Other consequences include spurious forces, invalid phonon dispersion relationships, and irreconcilable descriptions/treatments of temperature. We propose a statistically based coarse-graining of atomistics via peridynamics and so develop a first of a kind mesoscopic capability to enable consistent, thermodynamically sound, atomistic-to-continuum (AtC) multiscale material simulation. Peridynamics (PD) is a microcontinuum theory that assumes nonlocal forces for describing long-range material interaction. The force interactions occurring at finite distances are naturally accounted for in PD. Moreover, PDs nonlocal force model is entirely consistent with those used by atomistics methods, in stark contrast to classical continuum mechanics. Hence, PD can be employed for mesoscopic phenomena that are beyond the realms of classical continuum mechanics and atomistic simulations, e.g., molecular dynamics and density functional theory (DFT). The latter two atomistic techniques are handicapped by the onerous length and time scales associated with simulating mesoscopic materials. Simulating such mesoscopic materials is likely to require, and greatly benefit from multiscale simulations coupling DFT, MD, PD, and explicit transient dynamic finite element methods FEM (e.g., Presto). The proposed work fills the gap needed to enable multiscale materials simulations.

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TYPE SAND Report YEAR 2010
OSTIDOI

Sensitivity analysis techniques applied to a system of hyperbolic conservation laws

Reliability Engineering and System Safety

Weirs, V.G.; Kamm, James R.; Swiler, Laura P.; Tarantola, Stefano; Ratto, Marco; Adams, Brian M.; Rider, William J.; Eldred, Michael S.

Sensitivity analysis is comprised of techniques to quantify the effects of the input variables on a set of outputs. In particular, sensitivity indices can be used to infer which input parameters most significantly affect the results of a computational model. With continually increasing computing power, sensitivity analysis has become an important technique by which to understand the behavior of large-scale computer simulations. Many sensitivity analysis methods rely on sampling from distributions of the inputs. Such sampling-based methods can be computationally expensive, requiring many evaluations of the simulation; in this case, the Sobol method provides an easy and accurate way to compute variance-based measures, provided a sufficient number of model evaluations are available. As an alternative, meta-modeling approaches have been devised to approximate the response surface and estimate various measures of sensitivity. In this work, we consider a variety of sensitivity analysis methods, including different sampling strategies, different meta-models, and different ways of evaluating variance-based sensitivity indices. The problem we consider is the 1-D Riemann problem. By a careful choice of inputs, discontinuous solutions are obtained, leading to discontinuous response surfaces; such surfaces can be particularly problematic for meta-modeling approaches. The goal of this study is to compare the estimated sensitivity indices with exact values and to evaluate the convergence of these estimates with increasing samples sizes and under an increasing number of meta-model evaluations. © 2011 Elsevier Ltd. All rights reserved.

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TYPE Conference YEAR 2012
ScopusOSTI
16 Results
16 Results