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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Evaluation of Analytical and Numerical Techniques for Defining the Radius of Influence for an Open-Loop Ground Source Heat Pump System

In an open-loop groundwater heat pump (GHP) system, groundwater is extracted, run through a heat exchanger, and injected back into the ground, resulting in no mass balance changes to the flow system. Although the groundwater use is non-consumptive, the withdrawal and injection of groundwater may cause negative hydraulic and thermal impacts to the flow system. Because GHP is a relatively new technology and regulatory guidelines for determining environmental impacts for GHPs may not exist, consumptive use metrics may need to be used for permit applications. For consumptive use permits, a radius of influence is often used, which is defined as the radius beyond which hydraulic impacts to the system are considered negligible. In this paper, the hydraulic radius of influence concept was examined using analytical and numerical methods for a non-consumptive GHP system in southeastern Washington State. At this location, the primary hydraulic concerns were impacts to nearby contaminant plumes and a water supply well field. The results of this study showed that the analytical techniques with idealized radial flow were generally unsuited because they over predicted the influence of the well system. The numerical techniques yielded more reasonable results because they could account for aquifer heterogeneities and flow boundaries. In particular, the use of a capture zone analysis was identified as the best method for determining potential changes in current contaminant plume trajectories. The capture zone analysis is a more quantitative and reliable tool for determining the radius of influence with a greater accuracy and better insight for a non-consumptive GHP assessment.

GHPs↗
DOE OSTI2014

Theoretical and numerical modelling of chaotic electrostatic ion cyclotron (EIC) oscillations by Jerk equation

In the last few years, third order explicit autonomous differential equations, known as jerk equations, have generated great interest as they show features of regular and chaotic motion. In this paper, we have modelled chaotic electrostatic ion cyclotron oscillations using a third order nonlinear ordinary differential equation (ODE) and investigated its nonlinear dynamical properties. The nonlinear ODE has been derived for a plasma system from a two fluid model in the presence of a source term, under the influence of an external magnetic field, which is perpendicular to the direction of the wave vector. It is seen that the equation does not require an external forcing term to obtain chaotic behaviour. The stability of the solutions of the equation has been investigated analytically as well as numerically, and the bifurcation diagram obtained shows a number of interesting phenomena for various regimes of parameters. The coexisting attractors as well as their corresponding basins are shown and the phase space portraits at different conditions are obtained numerically and shown here. The results obtained here are in agreement with preliminary experiments conducted for a similar configuration of a plasma system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Theory comparison and numerical benchmarking on neoclassical toroidal viscosity torque

Systematic comparison and numerical benchmarking have been successfully carried out among three different approaches of neoclassical toroidal viscosity (NTV) theory and the corresponding codes: IPEC-PENT is developed based on the combined NTV theory but without geometric simplifications [Park et al., Phys. Rev. Lett. 102, 065002 (2009)]; MARS-Q includes smoothly connected NTV formula [Shaing et al., Nucl. Fusion 50, 025022 (2010)] based on Shaing's analytic formulation in various collisionality regimes; MARS-K, originally computing the drift kinetic energy, is upgraded to compute the NTV torque based on the equivalence between drift kinetic energy and NTV torque [J.-K. Park, Phys. Plasma 18, 110702 (2011)]. The derivation and numerical results both indicate that the imaginary part of drift kinetic energy computed by MARS-K is equivalent to the NTV torque in IPEC-PENT. In the benchmark of precession resonance between MARS-Q and MARS-K/IPEC-PENT, the agreement and correlation between the connected NTV formula and the combined NTV theory in different collisionality regimes are shown for the first time. Additionally, both IPEC-PENT and MARS-K indicate the importance of the bounce harmonic resonance which can greatly enhance the NTV torque when E×B drift frequency reaches the bounce resonance condition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Numerical and simulation study of terahertz radiation generation by laser pulses propagating in the extraordinary mode in magnetized plasma

A one-dimensional numerical model for studying terahertz radiation generation by intense laser pulses propagating, in the extraordinary mode, through magnetized plasma has been presented. The direction of the static external magnetic field is perpendicular to the polarization as well as propagation direction of the laser pulse. A transverse electromagnetic wave with frequency in the terahertz range is generated due to the presence of the magnetic field. Further, two-dimensional simulations using XOOPIC code show that the THz fields generated in plasma are transmitted into vacuum. The fields obtained via simulation study are found to be compatible with those obtained from the numerical model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Numerical investigation of the double-arcing phenomenon in a cutting arc torch

A numerical investigation of the double-arcing phenomenon in a cutting arc torch is reported. The dynamics of the double-arcing were simulated by using a two-dimensional model of the gas breakdown development in the space-charge layer contiguous to the nozzle of a cutting arc torch operated with oxygen. The kinetic scheme includes ionization of heavy particles by electron impact, electron attachment, electron detachment, electron–ion recombination, and ion–ion recombination. Complementary measurements during double-arcing phenomena were also conducted. A marked rise of the nozzle voltage was found. The numerical results showed that the dynamics of a cathode spot at the exit of the nozzle inner surface play a key role in the raising of the nozzle voltage, which in turn allows more electrons to return to the wall at the nozzle inlet. The return flow of electrons thus closes the current loop of the double-arcing. The increase in the (floating) nozzle voltage is due to the fact that the increased electron emission at the spot is mainly compensated by the displacement current (the ions do not play a relevant role due to its low-mobility) until that the stationary state is achieved and the electron return flow fully-compensates the electron emission at the spot. A fairly good agreement was found between the model and the experiment for a spot emission current growth rate of the order of 7 × 10{sup 4} A/s.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The equilibrium shape of fluid-fluid interfaces: Derivation and a new numerical method for Young’s and Young-Laplace equations

Many physical problems require explicit knowledge of the equilibrium shape of the interface between two fluid phases. Here, we present a new numerical method which is simply implementable and easily adaptable for a wide range of problems involving capillary deformations of fluid-fluid interfaces. We apply a simulated annealing algorithm to find the interface shape that minimizes the thermodynamic potential of the system. First, for completeness, we provide an analytical proof that minimizing this potential is equivalent to solving the Young-Laplace equation and the Young law. Then, we illustrate our numerical method showing two-dimensional results for fluid-fluid menisci between vertical or inclined walls and curved surfaces, capillary interactions between vertical walls, equilibrium shapes of sessile heavy droplets on a flat horizontal solid surface, and of droplets pending from flat or curved solid surfaces. Finally, we show illustrative three-dimensional results to point out the applicability of the method to micro- or nano-particles adsorbed at a fluid-fluid interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets

We present an approach for generating local numerical basis sets of improving accuracy for first-principles nanoplasmonics simulations within time-dependent density functional theory. The method is demonstrated for copper, silver, and gold nanoparticles that are of experimental interest but computationally demanding due to the semi-core d-electrons that affect their plasmonic response. The basis sets are constructed by augmenting numerical atomic orbital basis sets by truncated Gaussian-type orbitals generated by the completeness-optimization scheme, which is applied to the photoabsorption spectra of homoatomic metal atom dimers. We obtain basis sets of improving accuracy up to the complete basis set limit and demonstrate that the performance of the basis sets transfers to simulations of larger nanoparticles and nanoalloys as well as to calculations with various exchange-correlation functionals. This work promotes the use of the local basis set approach of controllable accuracy in first-principles nanoplasmonics simulations and beyond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A neural approach for the numerical modeling of two-dimensional magnetic hysteresis

This paper deals with a neural network approach to model magnetic hysteresis at macro-magnetic scale. Such approach to the problem seems promising in order to couple the numerical treatment of magnetic hysteresis to FEM numerical solvers of the Maxwell's equations in time domain, as in case of the non-linear dynamic analysis of electrical machines, and other similar devices, making possible a full computer simulation in a reasonable time. The neural system proposed consists of four inputs representing the magnetic field and the magnetic inductions components at each time step and it is trained by 2-d measurements performed on the magnetic material to be modeled. The magnetic induction B is assumed as entry point and the output of the neural system returns the predicted value of the field H at the same time step. A suitable partitioning of the neural system, described in the paper, makes the computing process rather fast. Validations with experimental tests and simulations for non-symmetric and minor loops are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Benchmark of numerical tools simulating beam propagation and secondary particles in ITER NBI

Injection of high energy beams of neutral particles is a method for plasma heating in fusion devices. The ITER injector, and its prototype MITICA (Megavolt ITER Injector and Concept Advancement), are large extrapolations from existing devices: therefore numerical modeling is needed to set thermo-mechanical requirements for all beam-facing components. As the power and charge deposition originates from several sources (primary beam, co-accelerated electrons, and secondary production by beam-gas, beam-surface, and electron-surface interaction), the beam propagation along the beam line is simulated by comprehensive 3D models. This paper presents a comparative study between two codes: BTR has been used for several years in the design of the ITER HNB/DNB components; SAMANTHA code was independently developed and includes additional phenomena, such as secondary particles generated by collision of beam particles with the background gas. The code comparison is valuable in the perspective of the upcoming experimental operations, in order to prepare a reliable numerical support to the interpretation of experimental measurements in the beam test facilities. The power density map calculated on the Electrostatic Residual Ion Dump (ERID) is the chosen benchmark, as it depends on the electric and magnetic fields as well as on the evolution of the beam species via interaction with the gas. Finally the paper shows additional results provided by SAMANTHA, like the secondary electrons produced by volume processes accelerated by the ERID fringe-field towards the Cryopumps.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Tomography based numerical simulation of the demagnetizing field in soft magnetic composites

The magneto-static behaviour of soft magnetic composites (SMCs) is investigated using tomography based direct numerical simulation. The microgeometry crucially affects the magnetic properties of the composite since a geometry dependent demagnetizing field is established inside the composite, which lowers the magnetic permeability. We determine the magnetic field information inside the SMC using direct numerical simulation of the magnetic field based on high resolution micro-computed tomography data of the SMC's microstructure as well as artificially generated data made of statistically homogeneous systems of identical fully penetrable spheres and prolate spheroids. Quasi-static electromagnetic behaviour and linear material response are assumed. The 3D magnetostatic Maxwell equations are solved using Whitney finite elements. Simulations show that clustering and percolation behaviour determine the demagnetizing factor of SMCs rather than the particle shape. The demagnetizing factor correlates with the slope of a 2-point probability function at its origin, which is related to the specific surface area of the SMC. Comparison with experimental results indicates that the relatively low permeability of SMCs cannot be explained by demagnetizing effects alone and suggests that the permeability of SMC particles has to be orders of magnitude smaller than the bulk permeability of the particle material.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Numerical modeling of heat transfer in molten silicon during directional solidification process

Numerical investigation is performed for some of the thermal and fluid flow properties of silicon melt during directional solidification by numerical modeling. Dimensionless numbers are extremely useful to understand the heat and mass transfer of fluid flow on Si melt and control the flow patterns during crystal growth processes. The average grain size of whole crystal would increase when the melt flow is laminar. In the silicon growth process, the melt flow is mainly driven by the buoyancy force resulting from the horizontal temperature gradient. The thermal and flow pattern influences the quality of the crystal through the convective heat and mass transport. The computations are carried out in a 2D axisymmetric model using the finite-element technique. The buoyancy effect is observed in the melt domain for a constant Rayleigh number and for different Prandtl numbers. The convective heat flux and Reynolds numbers are studied in the five parallel horizontal cross section of melt silicon region. And also, velocity field is simulated for whole melt domain with limited thermal boundaries. The results indicate that buoyancy forces have a dramatic effect on the most of melt region except central part.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Numerical prediction of fiber orientation in injection-molded short-fiber/thermoplastic composite parts with experimental validation

Numerical prediction of the fiber orientation in the short-glass fiber (GF) reinforced polyamide 6 (PA6) composites with the fiber weight concentration of 30%, 50%, and 70% manufactured by the injection molding process is presented. And the fiber orientation was also directly observed and measured through X-ray computed tomography. During the injection molding process of the short-fiber/thermoplastic composite, the fiber orientation is produced by the flow states and the fiber-fiber interaction. Folgar and Tucker equation is the well known for modeling the fiber orientation in a concentrated suspension. They included into Jeffrey’s equation a diffusive type of term by introducing a phenomenological coefficient to account for the fiber-fiber interaction. Our developed model for the fiber-fiber interaction was proposed by modifying the rotary diffusion term of the Folgar-Tucker equation. This model was presented in a conference paper of the 29{sup th} International Conference of the Polymer Processing Society published by AIP conference proceeding. For modeling fiber interaction, the fiber dynamic simulation was introduced in order to obtain a global fiber interaction coefficient, which is sum function of the fiber concentration, aspect ratio, and angular velocity. The fiber orientation is predicted by using the proposed fiber interaction model incorporated into a computer aided engineering simulation package C-Mold. An experimental program has been carried out in which the fiber orientation distribution has been measured in 100 x 100 x 2 mm injection-molded plate and 100 x 80 x 2 mm injection-molded weld by analyzed with a high resolution 3D X-ray computed tomography system XVA-160α, and calculated by X-ray computed tomography imaging. The numerical prediction shows a good agreement with experimental validation. And the complex fiber orientation in the injection-molded weld was investigated.

42 ENGINEERING↗
DOE OSTI2015

Direct numerical simulation of shear localization and decomposition reactions in shock-loaded HMX crystal

A numerical model is developed to study the shock wave ignition of HMX crystal. The model accounts for the coupling between crystal thermal/mechanical responses and chemical reactions that are driven by the temperature field. This allows for the direct numerical simulation of decomposition reactions in the hot spots formed by shock/impact loading. The model is used to simulate intragranular pore collapse under shock wave loading. In a reference case: (i) shear-enabled micro-jetting is responsible for a modest extent of reaction in the pore collapse region, and (ii) shear banding is found to be an important mode of localization. The shear bands, which are filled with molten HMX, grow out of the pore collapse region and serve as potential ignition sites. The model predictions of shear banding and reactivity are found to be quite sensitive to the respective flow strengths of the solid and liquid phases. In this regard, it is shown that reasonable assumptions of liquid-HMX viscosity can lead to chemical reactions within the shear bands on a nanosecond time scale.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Numerical calculation of ion runaway distributions

Ions accelerated by electric fields (so-called runaway ions) in plasmas may explain observations in solar flares and fusion experiments; however, limitations of previous analytic work have prevented definite conclusions. In this work, we describe a numerical solver of the 2D non-relativistic linearized Fokker-Planck equation for ions. It solves the initial value problem in velocity space with a spectral-Eulerian discretization scheme, allowing arbitrary plasma composition and time-varying electric fields and background plasma parameters. The numerical ion distribution function is then used to consider the conditions for runaway ion acceleration in solar flares and tokamak plasmas. Typical time scales and electric fields required for ion acceleration are determined for various plasma compositions, ion species, and temperatures, and the potential for excitation of toroidal Alfvén eigenmodes during tokamak disruptions is considered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A three-dimensional numerical modelling of the PHOENIX-SPES charge breeder based on the Langevin formalism

A Charge Breeder (CB) is a crucial device of an ISOL facility, allowing post-acceleration of radioactive ions: it accepts an incoming 1+ beam, then multiplying its charge with a highly charged q+ beam as an output. The overall performances of the facility (intensity and attainable final energy) critically depend on the charge breeder optimization. Experimental results collected along the years confirm that the breeding process is still not fully understood and room for improvements still exists: a new numerical approach has been therefore developed and applied to the description of a {sup 85}Rb{sup 1+} beam capture by the plasma of the 14.5 GHz PHOENIX ECR-based CB, installed at the Laboratoire de Physique Subatomique et de Cosmologie (LPSC), and adopted for the Selective Production of Exotic Species project under construction at Laboratori Nazionali di Legnaro. The results of the numerical simulations, obtained implementing a plasma-target model of increasing accuracy and different values for the plasma potential, will be described along the paper: results very well agree with the theoretical predictions and with the experimental results obtained on the LPSC test bench.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Numerical evaluation of two-center integrals over Slater type orbitals

Slater Type Orbitals (STOs) which one of the types of exponential type orbitals (ETOs) are used usually as basis functions in the multicenter molecular integrals to better understand physical and chemical properties of matter. In this work, we develop algorithms for two-center overlap and two-center two-electron hybrid and Coulomb integrals which are calculated with help of translation method for STOs and some auxiliary functions by V. Magnasco’s group. We use Mathematica programming language to produce algorithms for these calculations. Numerical results for some quantum numbers are presented in the tables. Consequently, we compare our obtained numerical results with the other known literature results and other details of evaluation method are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Numerical modelling of the flow in the resin infusion process on the REV scale: A feasibility study

The resin infusion process (RIP) has developed as a low cost method for manufacturing large fibre reinforced plastic parts. However, the process still presents some challenges to industry with regards to reliability and repeatability, resulting in expensive and inefficient trial and error development. In this paper, we show the implementation of 2D numerical models for the RIP using the open source simulator DuMu{sup X}. The idea of this study is to present a model which accounts for the interfacial forces coming from the capillary pressure on the so-called representative elementary volume (REV) scale. The model is described in detail and three different test cases — a constant and a tensorial permeability as well as a preform/Balsa domain — are investigated. The results show that the developed model is very applicable for the RIP for manufacturing of composite parts. The idea behind this study is to test the developed model for later use in a real application, in which the preform medium has numerous layers with different material properties.

42 ENGINEERING↗
DOE OSTI2016

Nonlinear bioheat transfer models and multi-objective numerical optimization of the cryosurgery operations

Numerical computation of the three dimensional problem of the freezing interface propagation during the cryosurgery coupled with the multi-objective optimization methods is used in order to improve the efficiency and safety of the cryosurgery operations performing. Prostate cancer treatment and cutaneous cryosurgery are considered. The heat transfer in soft tissue during the thermal exposure to low temperature is described by the Pennes bioheat model and is coupled with an enthalpy method for blurred phase change computations. The finite volume method combined with the control volume approximation of the heat fluxes is applied for the cryosurgery numerical modeling on the tumor tissue of a quite arbitrary shape. The flux relaxation approach is used for the stability improvement of the explicit finite difference schemes. The method of the additional heating elements mounting is studied as an approach to control the cellular necrosis front propagation. Whereas the undestucted tumor tissue and destucted healthy tissue volumes are considered as objective functions, the locations of additional heating elements in cutaneous cryosurgery and cryotips in prostate cancer cryotreatment are considered as objective variables in multi-objective problem. The quasi-gradient method is proposed for the searching of the Pareto front segments as the multi-objective optimization problem solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗