Understanding the impact of insulating and conducting endplate boundary conditions on turbulence in CSDX through nonlocal simulations
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70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
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Results for “boundary value problems”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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A Semi-Analytical Solution Approach for Solving Constant-Coefficient First-Order Partial Differential Equations
Simulation and control of many dynamic systems involve solving partial differential equations (PDE). This letter proposes a semi-analytical solution (SAS) approach for fast and high-quality solution of first-order PDEs. The region of interest of the studied PDE is divided into a grid, and an SAS is derived for each grid cell in the form of the multivariate polynomials, of which the coefficients are identified using initial value and boundary value conditions. The solutions are solved in a “time-stepping” manner, i.e. within one time step, the coefficients of the SAS are identified and the initial value of the next time step is evaluated. This approach achieves a significantly larger grid cell than the widely used finite difference method, and thus enhances the computational efficiency significantly. Furthermore, the simulation result on the natural gas pipeline model demonstrates the advantages of SAS in accuracy and computational efficiency.
97 MATHEMATICS AND COMPUTING↗
Assessment of Horizontal External Stresses in the Vorkuta Mine Field Using Seismic Tomography Data
3D geomechanical model of the Vorkuta Mine, Pechora Coal Basin, has been developed and implemented numerically. By the data on dynamic events recorded by stationary seismic stations, tomography of the study object is performed, and velocity of elastic waves is recovered in the illuminated area of the object. The boundary value inverse problem on horizontal external stresses by stress distribution found using empirical relations between elastic wave velocities and stresses determined in the laboratoryscale experiments is formulated and solved.
01 COAL, LIGNITE, AND PEAT↗
Fractional diffusion on bounded domains
We found that the mathematically correct specification of a fractional differential equation on a bounded domain requires specification of appropriate boundary conditions, or their fractional analogue. In this paper we discuss the application of nonlocal diffusion theory to specify well-posed fractional diffusion equations on bounded domains.
97 MATHEMATICS AND COMPUTING↗
University of Miami Coupled Model (UMCM) for Hurricanes Ike and Sandy
The University of Miami Coupled Model (UMCM) is a coupled model that integrates atmospheric, wave, and ocean components to produce wind, wave, and current data. Atmospheric data is produced using the [Weather Research and Forecasting model](https://www.mmm.ucar.edu/weather-research-and-forecasting-model) (WRF), Wave data is produced using the [University of Miami Wave Model](https://umwm.org/) (UMWM), While ocean current data is produced using the [HYbrid Coordinate Ocean Model](https://www.hycom.org/) (HYCOM). The time resolution for each model run is as follows: Hurricane Ike -> 1 sample/hour from 9/8/2008 12:00:00 UTC to 9/12/2008 6:00:00 UTC -> 1 sample/10 minutes from 9/12/2008 6:00:00 UTC to 9/13/2008 9:00:00 UTC Hurricane Sandy -> 1 sample/10 minutes from 10/28/2012 00:10:00 UTC to 10/31/2012 00:00:00 UTC
Array↗
Mechanisms of interfacial reactivity in near surface and extreme environments
The local water structure surrounding ions in aqueous solutions greatly affects their chemical properties such as reaction rates, ion association, and proton and electron transport. These properties result in the behavior of ions in natural aqueous environments. For example ore transport is facilitated by chloride ion pair formation and the reaction of ions in an interface is strongly dependent on the dehydration of the ion hydration shell. We are developing the use of high-resolution XAFS observations and 1st principles based MD-XAFS analysis (spectra simulated using 1st principle methods with no adjustable parameters, AIMD) to interpret the solution properties of strongly interacting aqueous solutes under arbitrary pressure and temperature conditions. In the 1st principle MD-XAFS method density functional theory (DFT) based MD simulations(Car and Parrinello, 1985) are used to generate a large ensemble of structural snap shots of the hydration region. These are then used to generate scattering intensities. I emphasize three points about this novel approach to analyzing XAFS data. 1st: As illustrated in Figure 1, the level of agreement between the calculated and observed intensities is considerably higher than has been obtained by any XAFS analysis to date (note 2nd shell region, R> 2 Å). 2nd: This result was obtained from a parameter free simulation with no fitting of the interaction potentials to any data. This supports the use of these methods for more difficult environments and more complex solutes (polyions). 3rd: New information about the shell structure (Figure 1) is now available because of this more detailed agreement. We note also that both multiple scattering and second shell features are well represented in the analysis. As far as we know this is the 1st analysis of second shell structure and multiple scattering. Excellent agreement has been obtained for most of the third row metal ions: Ca 2+ , Zn 2+ , Cu 2+ , Ni 2+ , Co 2+ , Mn 2+ , Fe 3+ , Cr 3+ . Calculations on these systems are demanding because of their open electronic shells, and high ionic charge. Principal Investigator: Professor John Weare (University of California, San Diego) The prediction of the interactions of geochemical fluids with minerals, nanoparticles, and colloids under extreme near surface conditions of temperature (T) and pressure (P) is a grand challenge research need in geosciences (U.S. DOE 2007, Basic Research Needs for Geosciences: Facilitating the 21st Energy Systems.). To evaluate the impact of these processes on energy production and management strategies it is necessary to have a high level of understanding of the interaction between complex natural fluids and mineral formations. This program emphasizes 1st principle parameter free simulations of complex chemical processes in solutions, in the mineral phase, and in the interfaces between these phases The development of new computational tools (with emphasis on oxide materials and reaction dynamics) tailored to treat wide range of conditions and time scales experienced in such geochemical applications is has been developed. Because of the sensitivity of the interaction in these systems to electronic structure and local bonding environments, and of the need to describe bond breaking/formation, our simulations are based on interactions calculated at the electronic structure level (ab-initio molecular dynamics, AIMD). The progress in the computational aspects of program may be summarized in terms of the following themes (objectives); Development of efficient parameter free dynamical simulation technology based on 1st principles force and energy calculations especially adapted for geochemical applications (e.g., mineral, interfaces and aqueous solutions) (continuing program); Calculation of the dynamics of water structure of in the surface-water interface of transition metal oxides and oxihydroxides; and Development of improved (beyond DFT+GGA) electronic structure calculations for minerals and the interface region that more accurately calculate electron correlation, spin density, and localization. The focus of the program is also on the iron oxide and oxihydroxide minerals and Fe 2+ (aq)/Fe 3+ (cr) oxidation in the mineral solution interface region. These methods included the development of model Hamilitonian methods that can be solved to near convergence for single site models (DMFT) and many-body perturbation methods (MP2, GW); Development of time decomposition methods to extend time scales of molecular dynamics (MD) simulations and support the use of high complexity electronic structure calculations (MP2, CCSD(T)) of forces for use in dynamical simulations where very high chemical accuracy is required (microsolvated reactions in absorbed surface layers); and The development of a new linear scaling finite element solver for eigenvalue problem that supports solution of quantum problems with unusual potential and boundary values. Application progress of the above new simulation technology to problems of geochemical interests includes; The prediction of metal oxide surface structure and the reduction/oxidation of Fe 3+ (cr)/Fe 2+ (aq) in metal oxide (hematite, goethite)/solution interfaces. Result: water interacts strongly with the 001 Hematite surface; interaction of water with the 100 goethite is weak; The study of ion solvation and the composition of ion hydration shells under extreme conditions (focus on Fe 3+/2+ , Al 3+ and Mg 2+ and their hydroxide speciation). Result: Ion association in water solutions can be calculated from 1st principle methods. Efficient sampling of the free energy requires more development; The continued development of new high resolution analysis of XAFS scattering of disordered systems (particularly Al, Mg) and of XANES calculations for aqueous ions. Result: EXAFS spectra can be calculated to high accuracy with DFT level dynamic simulations; The exploration of electron localization and electron transport in metal oxides (highly correlated materials). Result: Proper description of electron localization requires levels of calculation beyond DFT; and Localization of electrons in DFT type Hamiltonians was studied. Result: For very Dirac high exchange new solutions (New unphysical bifrucations) to the eigenvalue problem are found. The program was highly collaborative involving faculty and students in mathematics, physics and computer science departments as well as coworkers at the Pacific Northwest National Laboratories (PNNL). The students in this program had the opportunity to develop skills in the development of methods, the implementation of method on high performance parallel computers and the application of these methods to problem in geochemical science. Much of the software that was developed was incorporated in the NWchem software package maintained by PNNL.
58 GEOSCIENCES↗
Exact solutions for the static bending of Euler-Bernoulli beams using Eringen’s two-phase local/nonlocal model
Though widely used in modelling nano- and micro- structures, Eringen’s differential model shows some inconsistencies and recent study has demonstrated its differences between the integral model, which then implies the necessity of using the latter model. In this paper, an analytical study is taken to analyze static bending of nonlocal Euler-Bernoulli beams using Eringen’s two-phase local/nonlocal model. Firstly, a reduction method is proved rigorously, with which the integral equation in consideration can be reduced to a differential equation with mixed boundary value conditions. Then, the static bending problem is formulated and four types of boundary conditions with various loadings are considered. By solving the corresponding differential equations, exact solutions are obtained explicitly in all of the cases, especially for the paradoxical cantilever beam problem. Finally, asymptotic analysis of the exact solutions reveals clearly that, unlike the differential model, the integral model adopted herein has a consistent softening effect. Comparisons are also made with existing analytical and numerical results, which further shows the advantages of the analytical results obtained. Additionally, it seems that the once controversial nonlocal bar problem in the literature is well resolved by the reduction method.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Using a meshless kernel-based method to solve the Black–Scholes variational inequality of American options
Under the Black–Scholes model, the value of an American option solves a free boundary problem which is equivalent to a variational inequality problem. Using positive definite kernels, we discretize the variational inequality problem in spatial direction and derive a sequence of linear complementarity problems (LCPs) in a finite-dimensional euclidean space. We use special kind of kernels to impose homogeneous boundary conditions and to obtain LCPs with positive definite coefficient matrices to guarantee the existence and uniqueness of the solution. The LCPs are then successfully solved iteratively by the projected SOR algorithm.
97 MATHEMATICS AND COMPUTING↗
Self-similar turbulent boundary layer with imposed pressure gradient. Four flow regimes
Self-similar flows of an incompressible fluid in a turbulent boundary layer, when the free-stream velocity is a power function (with the exponent m) of the longitudinal coordinate, have been studied. It has been shown that there are four different self-similar flow regimes corresponding to four individual similarity parameters one of which is the known Clauser parameter and the three other parameters have been established for the first time. At adverse pressure gradient, when the exponent m lies in a certain range depending on Reynolds number, the problem has two solutions with different values of the boundary-layer thickness and skin friction; consequently, hysteresis in a pre-separation flow is possible. Separation occurs not at the minimal value of m that corresponds to the strongest adverse pressure gradient, but at m = −0.216 −0.4 Re{sub p}{sup −1/3} + O(Re{sub p}{sup −2/3}), where Re{sub p} is the Reynolds number based on longitudinal pressure gradient. The theoretical results are in good agreement with experimental data.
42 ENGINEERING↗
A Parallel Cut-Cell Algorithm for the Free-Boundary Grad--Shafranov Problem
A parallel cut-cell algorithm is described to solve the free-boundary problem of the Grad--Shafranov equation. The algorithm reformulates the free-boundary problem in an irregular bounded domain and its important aspects include a searching algorithm for the magnetic axis and separatrix, a surface integral along the irregular boundary to determine the boundary values, an approach to optimize the coil current based on a targeting plasma shape, Picard iterations with Aitken's acceleration for the resulting nonlinear problem, and a Cartesian grid embedded boundary method to handle the complex geometry. Here the algorithm is implemented in parallel using a standard domain-decomposition approach and a good parallel scaling is observed. Numerical results verify the accuracy and efficiency of the free-boundary Grad--Shafranov solver.
97 MATHEMATICS AND COMPUTING↗
Electromagnetic energy flow in confined regions of evanescent waves: wavelength-scale analysis by the method of single expression
An alternative expression for the Poynting vector for monitoring electromagnetic energy flow in confined regions of evanescent waves is presented. This expression is an intrinsic integrable function of the boundary problem solution in the method of single expression (MSE). The peculiarity of the MSE is the fact that it does not exploit the superposition principle by representing solutions of the Helmholtz equation as a sum of counter propagating waves in the medium, but rather considers resulting wave with certain amplitude and phase by solving special set of the MSE equations with backward calculation approach. This permits to have a universal expression for the Poynting vector appropriate both for media of a positive product of permittivity and permeability and of a negative product of these values that is relevant to the region of evanescent waves. For the boundary problem solution carried out numerically by the MSE it is possible to observe distributions of not only electric and magnetic field amplitudes, but also the Poynting vector in any confined media including regions of evanescent waves. The presented alternative expression for the Poynting vector in the MSE is in complete agreement with the traditional representation of the Poynting vector for the medium where it is defined.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Adaptive Framework for Classification and Novel Class Detection over Evolving Data Streams with Limited Labeled Data.
Most approaches to classifying evolving data streams either divide the stream of data into fixed-size chunks or use gradual forgetting to address the problems of infinite length and concept drift. Finding the fixed size of the chunks or choosing a forgetting rate without prior knowledge about time-scale of change is not a trivial task. As a result, these approaches suffer from a trade-off between performance and sensitivity. To address this problem, we present a framework which uses change detection techniques on the classifier performance to determine chunk boundaries dynamically. Though this framework exhibits good performance, it is heavily dependent on the availability of true labels of data instances. However, labeled data instances are scarce in realistic settings and not readily available. Therefore, we present a second framework which is unsupervised in nature, and exploits change detection on classifier confidence values to determine chunk boundaries dynamically. In this way, it avoids the use of labeled data while still addressing the problems of infinite length and concept drift. Moreover, both of our proposed frameworks address the concept evolution problem by detecting outliers having similar values for the attributes. We provide theoretical proof that our change detection method works better than other state-of-the-art approaches in this particular scenario. Results from experiments on various benchmark and synthetic data sets also show the efficiency of our proposed frameworks.
97 MATHEMATICS AND COMPUTING↗
Wiggle instability of galactic spiral shocks: Effects of magnetic fields
It has been suggested that the wiggle instability (WI) of spiral shocks in a galactic disk is responsible for the formation of gaseous feathers observed in grand-design spiral galaxies. We perform both a linear stability analysis and numerical simulations to investigate the effect of magnetic fields on the WI. The disk is assumed to be infinitesimally thin, isothermal, and non-self-gravitating. We control the strengths of magnetic fields and spiral-arm forcing using the dimensionless parameters β and F, respectively. By solving the perturbation equations as a boundary-eigenvalue problem, we obtain dispersion relations of the WI for various values of β=1−∞ and F=5% and 10%. We find that the WI arising from the accumulation of potential vorticity at disturbed shocks is suppressed, albeit not completely, by magnetic fields. The stabilizing effect of magnetic fields is not from the perturbed fields but from the unperturbed fields that reduce the density compression factor in the background shocks. When F=5% and β≲10 or F=10% and β ∼ 5–10, the most unstable mode has a wavelength of ∼0.1–0.2 times the arm-to-arm separation, which appears consistent with a mean spacing of observed feathers.
79 ASTRONOMY AND ASTROPHYSICS↗
Numerical simulation of scattering of acoustic waves by inelastic bodies using hypersingular boundary integral equation
A numerical method for solving a problem of diffraction of acoustic waves by system of solid and thin objects based on the reduction the problem to a boundary integral equation in which the integral is understood in the sense of finite Hadamard value is proposed. To solve this equation we applied piecewise constant approximations and collocation methods numerical scheme. The difference between the constructed scheme and earlier known is in obtaining approximate analytical expressions to appearing system of linear equations coefficients by separating the main part of the kernel integral operator. The proposed numerical scheme is tested on the solution of the model problem of diffraction of an acoustic wave by inelastic sphere.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Slip Boundary Conditions for the Compressible Navier–Stokes Equations
The slip boundary conditions for the compressible Navier–Stokes equations are derived systematically from the Boltzmann equation on the basis of the Chapman–Enskog solution of the Boltzmann equation and the analysis of the Knudsen layer adjacent to the boundary. The resulting formulas of the slip boundary conditions are summarized with explicit values of the slip coefficients for hard-sphere molecules as well as the Bhatnagar–Gross–Krook model. These formulas, which can be applied to specific problems immediately, help to prevent the use of often used slip boundary conditions that are either incorrect or without theoretical basis.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Boundary node Petrov–Galerkin method in solid structures
Based on the interpolation of the Lagrange series and the Finite Block Method (FBM), the formulations of the Boundary Node Petrov–Galerkin Method (BNPGM) are presented in the weak form in this paper and their applications are demonstrated to the elasticity of functionally graded materials, subjected to static and dynamic loads. By introducing the mapping technique, a block of quadratic type is transformed from the Cartesian coordinate to the normalized coordinate with 8 seeds for two-dimensional problems. The first-order partial differential matrices of boundary nodes are obtained in terms of the nodal values of the boundary node, which can be utilized to determine the tractions on the boundary. Time-dependent partial differential equations are analyzed in the Laplace transformed domain and the Durbin’s inversion method is applied to determine the physical values in the time domain. Illustrative numerical examples are given and comparison has been made with the analytical solutions, the Boundary Element Method (BEM) and the Finite Element Method (FEM).
97 MATHEMATICS AND COMPUTING↗
An Approach to Quad Meshing Based On Cross Valued Maps and the Ginzburg-Landau Theory
A generalization of vector fields, referred to as N-direction fields or cross fields when N=4, has been recently introduced and studied for geometry processing, with applications in quadrilateral (quad) meshing, texture mapping, and parameterization. We make the observation that cross field design for two-dimensional quad meshing is related to the well-known Ginzburg-Landau problem from mathematical physics. This identification yields a variety of theoretical tools for efficiently computing boundary-aligned quad meshes, with provable guarantees on the resulting mesh, for example, the number of mesh defects and bounds on the defect locations. The procedure for generating the quad mesh is to (i) find a complex-valued "representation" field that minimizes the Dirichlet energy subject to a boundary constraint, (ii) convert the representation field into a boundary-aligned, smooth cross field, (iii) use separatrices of the cross field to partition the domain into four sided regions, and (iv) mesh each of these four-sided regions using standard techniques. Under certain assumptions on the geometry of the domain, we prove that this procedure can be used to produce a cross field whose separatrices partition the domain into four sided regions. To solve the energy minimization problem for the representation field, we use an extension of the Merriman-Bence-Osher (MBO) threshold dynamics method, originally conceived as an algorithm to simulate motion by mean curvature, to minimize the Ginzburg-Landau energy for the optimal representation field. Lastly, we demonstrate the method on a variety of test domains.
Computational Geometry↗
Summer term 2018 work with IMC radiative transport in binary stochastic media
In the quest for new and improved methods to solve thermal radiation transport in stochastic media, this summer project was to characterize radation transport in a deterministic lattice problem that represents a real, binary stochastic media. A representative geometry for a binary stochastic media consisting of a cube of a high volume fraction media containing constant-diameter non-overlappying spheres randomly distributed within was run previously. Previous thermal radiation wave problems in binary stochastic media displayed three characteristic thermal energy deposition wavefronts in the following order, front of the spheres, bulk material, and the backs of the spheres. Several physical aspects of the representative geometry for a stochastic binary media using an optically thin background with optically thick spheres were analyzed. This analysis includes wave speed propagation using a one dimensional diffusion approximation, energy fluence transmission, and material energy deposition. The approaches to analysis included representing one sphere of the high opacity material in a diffusive background of the low opacity material, as well as repeating spheres in a column con guration with reflective boundary conditions to approximate a lattice. Additionally, both atomic mix and Levermore-Pomraning homogenization schemes were compared against the representative cube geometry as well as the sphere column lattice geometry. The wave speed analysis with a one dimensional Marshak diffusion wave was largely ineffective at determining an effective opacity value to which a problem could be homogenized, likely due to low mean free path resolution within the problem. However, the sphere column lattice geometry showed promising results for approximating the energy fluence transmitted through the problem domain. One concern with the sphere column lattice geometry indicated the high forward-bias effect of fluence reaching the problem boundary due to streaming paths around the spheres in the case of small mean free path resolution of the background material.
36 MATERIALS SCIENCE↗