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At least 1,063 records · Page 59

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DOE OSTI2019

A Themodynamically Consistent Fractional Visco-Elasto-Plastic Model with Memory-Dependent Damage for Anomalous Materials

We develop a thermodynamically consistent, fractional visco-elastoplastic model coupled with damage for anomalous materials. The model utilizes Scott-Blair rheological elements for both visco- elastic/plastic parts. The constitutive equations are obtained through Helmholtz free-energy potentials for Scott-Blair elements, together with a memory-dependent fractional yield function and dissipation inequalities. A memory-dependent Lemaitre-type damage is introduced through fractional damage energy release rates. For time-fractional integration of the resulting nonlinear system of equations, we develop a first-order semi-implicit fractional return-mapping algorithm. We also develop a finite-difference discretization for the fractional damage energy release rate, which results into Hankel-type matrix-vector operations for each time-step, allowing us to reduce the computational complexity from O(N 3 ) to O(N 2 ) through the use of Fast Fourier Transforms. Our numerical results demonstrate that the fractional orders for visco-elasto-plasticity play a crucial role in damage evolution, due to the competition between the anomalous plastic slip and bulk damage energy release rates.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Advanced numerics for multi-dimensional fluid flow calculations

In recent years, there has been a growing interest in the development and use of mathematical models for the simulation of fluid flow, heat transfer and combustion processes in engineering equipment. The equations representing the multi-dimensional transport of mass, momenta and species are numerically solved by finite-difference or finite-element techniques. However despite the multiude of differencing schemes and solution algorithms, and the advancement of computing power, the calculation of multi-dimensional flows, especially three-dimensional flows, remains a mammoth task. The following discussion is concerned with the author's recent work on the construction of accurate discretization schemes for the partial derivatives, and the efficient solution of the set of nonlinear algebraic equations resulting after discretization. The present work has been jointly supported by the Ramjet Engine Division of the Wright Patterson Air Force Base, Ohio, and the NASA Lewis Research Center.

Vanka, S. P.↗

NASA NTRSDate not supplied

A Lunar Ground Truth of Microbes that are Integral to Sustaining Biological Life Support Systems

A lunar outpost such as Gateway or a Mars transit vehicle will use a semi-closed to closed loop biological life support system (BLSS) adapted for microgravity and high levels of radiation. A moon habitat will likely exist under partial gravity conditions and sustained levels of high radiation as a semi-closed loop system able to get resources from Earth via Gateway. Additionally, the moon will act as a closed-loop testbed for Mars habitat operations and will employ various elements of in situ resource utilization (ISRU). Perhaps the longest running BLSS collective study to date is that of the European MELiSSA (Micro Ecological Life Support System Alternative) project, a circular life support system, established to gain knowledge on regenerative systems aimed at the highest degree of autonomy to produce food, water and oxygen from mission wastes. This setup has evaluated the use of discrete microbial compartments and a higher plant compartment to carry out the necessary life support functions to support crew. Such compartments utilize thermophilic anaerobes to break down human and inedible plant wastes, photoheterotrophic bacteria that can further metabolize volatile fatty acids, nitrifying bacteria that can convert ammonium to plant and microalgae available nitrates, and photoautotrophic bacteria and higher plants which will convert carbon dioxide to oxygen, purify water, and provide food for human consumption. This being the most advanced BLSS model example to date -aside from the Yuegong-1, Chinese Lunar Palace- with the most defined compartment composition, and the assumption that other BLSSs will build upon such models, it becomes relevant to study the effects of the lunar environment upon the microbes that are integral to a BLSS. In ramping up to advanced stage BLSS systems, relatively simple experiments can be conducted on Artemis missions using continuous culturing and sampling of the model microbes, subsequently subjected to DNA sequencing for mutational analysis monitoring and chemical analysis to assess the sustained ability to carry out their hallmark biochemical processes efficiently. A suite of microbes should be assessed, prioritizing those with the duel capacity to be utilized in an BLSS and the ability to biochemically facilitate ISRU goals, such as the ability to transform the biogeochemistry of Moon or Martian regolith into materials that can support crop growth or extract elements of industrial significance such as aluminum or iron.

Biological Life Support Systems↗

DOE OSTI2023

Axial Relocation Modeling in BISON: Theory, Application, and Discussion [Slides]

Presentation as part of the Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Idaho National Laboratory, and Advanced Fuels Campaign meeting. This meeting is in support of a bilateral between the United States and France.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1983

Wave envelope and infinite element schemes for fan noise radiation from turbofan inlets

Finite element models are presented for the calculation of radiated fan noise in the vicinity of turbofan inlets. The models involve the use of conventional axisymmetric finite elements in an inner region close to the inlet. The far field is represented by infinite elements or wave envelope elements. Theory and results are presented for the case with no mean flow. Comparisons of computed data with analytic solutions and measured values establish the utility of both the infinite element and wave envelope element schemes. The wave envelope scheme is shown to be effective also in the far field. Both schemes use meshes which are much sparser than would be required in conventional numerical discretizations and may be applied to real inlet configurations at modest computational cost.

Astley, R. J.↗

NASA NTRS1984

Interactive computer graphic surface modeling of three-dimensional solid domains for boundary element analysis

The establishment of the boundary element method (BEM) as a valid tool for solving problems in structural mechanics and in other fields of applied physics is discussed. The development of an integrated interactive computer graphic system for the application of the BEM to three dimensional problems in elastostatics is described. The integration of interactive computer graphic techniques and the BEM takes place at the preprocessing and postprocessing stages of the analysis process, when, respectively, the data base is generated and the results are interpreted. The interactive computer graphic modeling techniques used for generating and discretizing the boundary surfaces of a solid domain are outlined.

Perucchio, R.↗

NASA NTRS1997

High-Performance Parallel Analysis of Coupled Problems for Aircraft Propulsion

Applications are described of high-performance computing methods to the numerical simulation of complete jet engines. The methodology focuses on the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion driven by structural displacements. The latter is treated by a ALE technique that models the fluid mesh motion as that of a fictitious mechanical network laid along the edges of near-field elements. New partitioned analysis procedures to treat this coupled three-component problem were developed. These procedures involved delayed corrections and subcycling, and have been successfully tested on several massively parallel computers, including the iPSC-860, Paragon XP/S and the IBM SP2. The NASA-sponsored ENG10 program was used for the global steady state analysis of the whole engine. This program uses a regular FV-multiblock-grid discretization in conjunction with circumferential averaging to include effects of blade forces, loss, combustor heat addition, blockage, bleeds and convective mixing. A load-balancing preprocessor for parallel versions of ENG10 was developed as well as the capability for the first full 3D aeroelastic simulation of a multirow engine stage. This capability was tested on the IBM SP2 parallel supercomputer at NASA Ames.

Felippa, C. A.↗

NASA NTRS2007

A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

Saether, E.↗

DOE OSTI2016

PROTEUS-SN User Manual

PROTEUS-SN is a three-dimensional, highly scalable, high-fidelity neutron transport code developed at Argonne National Laboratory. The code is applicable to all spectrum reactor transport calculations, particularly those in which a high degree of fidelity is needed either to represent spatial detail or to resolve solution gradients. PROTEUS-SN solves the second order formulation of the transport equation using the continuous Galerkin finite element method in space, the discrete ordinates approximation in angle, and the multigroup approximation in energy. PROTEUS-SN’s parallel methodology permits the efficient decomposition of the problem by both space and angle, permitting large problems to run efficiently on hundreds of thousands of cores. PROTEUS-SN can also be used in serial or on smaller compute clusters (10’s to 100’s of cores) for smaller homogenized problems, although it is generally more computationally expensive than traditional homogenized methodology codes. PROTEUS-SN has been used to model partially homogenized systems, where regions of interest are represented explicitly and other regions are homogenized to reduce the problem size and required computational resources. PROTEUS-SN solves forward and adjoint eigenvalue problems and permits both neutron upscattering and downscattering. An adiabatic kinetics option has recently been included for performing simple time-dependent calculations in addition to standard steady state calculations. PROTEUS-SN handles void and reflective boundary conditions. Multigroup cross sections can be generated externally using the MC2-3 fast reactor multigroup cross section generation code or internally using the cross section application programming interface (API) which can treat the subgroup or resonance table libraries. PROTEUS-SN is written in Fortran 90 and also includes C preprocessor definitions. The code links against the PETSc, METIS, HDF5, and MPICH libraries. It optionally links against the MOAB library and is a part of the SHARP multi-physics suite for coupled multi-physics analysis of nuclear reactors. This user manual describes how to set up a neutron transport simulation with the PROTEUS-SN code. A companion methodology manual describes the theory and algorithms within PROTEUS-SN.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

DFT (and DMFT) for DFT users

The interesting properties of f -electron systems comes from a simultaneous existence of free and discrete level electrons. The challenge we have is to describe free electrons and discrete level electrons equally well in a unified picture. The ELF index can be used to find regions in real space where discrete level physics needs to be taken into account. We have identified the HO gas as a model system that can be used to gain insight about this kind of physics. We will use the HO gas model system for creating a functional suitable for these systems via the subsystem functional scheme. With a predictive capability for the rare earths and lanthindes, we can identify new materials with new/improved properties. This is crucial for, e.g., developing material and technology substitutes for addressing the challenges associated with the use of rare earth elements and other critical materials.

36 MATERIALS SCIENCE↗

NASA NTRS1994

New Developments in the Method of Space-Time Conservation Element and Solution Element-Applications to Two-Dimensional Time-Marching Problems

A new numerical discretization method for solving conservation laws is being developed. This new approach differs substantially in both concept and methodology from the well-established methods, i.e., finite difference, finite volume, finite element, and spectral methods. It is motivated by several important physical/numerical considerations and designed to avoid several key limitations of the above traditional methods. As a result of the above considerations, a set of key principles for the design of numerical schemes was put forth in a previous report. These principles were used to construct several numerical schemes that model a 1-D time-dependent convection-diffusion equation. These schemes were then extended to solve the time-dependent Euler and Navier-Stokes equations of a perfect gas. It was shown that the above schemes compared favorably with the traditional schemes in simplicity, generality, and accuracy. In this report, the 2-D versions of the above schemes, except the Navier-Stokes solver, are constructed using the same set of design principles. Their constructions are simplified greatly by the use of a nontraditional space-time mesh. Its use results in the simplest stencil possible, i.e., a tetrahedron in a 3-D space-time with a vertex at the upper time level and other three at the lower time level. Because of the similarity in their design, each of the present 2-D solvers virtually shares with its 1-D counterpart the same fundamental characteristics. Moreover, it is shown that the present Euler solver is capable of generating highly accurate solutions for a famous 2-D shock reflection problem. Specifically, both the incident and the reflected shocks can be resolved by a single data point without the presence of numerical oscillations near the discontinuity.

Chang, Sin-Chung↗

DOE OSTI2016

Impact of Spatial Discretization on Reactivity Biases in Depleted TRIGA Fuel

Ongoing work at Kansas State University (KSU) and the University of Wisconsin involves the determination of fuel compositions in TRIGA reactors. Modeling of depletion requires a number of approximations to be made, which often includes selection of an appropriate spatial discretization for tracking material evolution in time. Incorporation of temperature feedback also requires such spatial zoning. Any approximation made leads to computational biases, i.e., differences between computed and accurate values of some parameter of interest. The objective of this study is to understand the potential magnitude of biases introduced by the selected spatial discretization. Specifically, biases in the reactivity of a square-pitch unit cell representative of a typical TRIGA fuel element were studied as a function of burnup for different radial and axial discretizations. Temperature effects were also studied by introducing a fixed, radial temperature profile. The results indicate a very fine radial discretization (> 10 radial regions) may be needed to eliminate biases (of statistical significance) from temperature feedback effects, while an axial discretization of {approx_equal}7 regions may be sufficient to eliminate biases due to evolution of the fuel composition. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2014

The metal-poor knee in the Fornax dwarf spheroidal galaxy

We present α-element abundances of Mg, Si, and Ti for a large sample of field stars in two outer fields of the Fornax dwarf spheroidal (dSph) galaxy, obtained with Very Large Telescope/GIRAFFE (R ∼ 16, 000). Due to the large fraction of metal-poor (MP) stars in our sample, we are able to follow the α-element evolution from [Fe/H] ≈ –2.5 continuously to [Fe/H] ≈ –0.7. For the first time we are able to resolve the turnover from the Type II supernovae (SNe) dominated, α-enhanced plateau down to subsolar [α/Fe] values, due to the onset of SNe Ia, and thus to trace the chemical enrichment efficiency of the galaxy. Our data support the general concept of an α-enhanced plateau at early epochs, followed by a well-defined 'knee' caused by the onset of SNe Ia, and finally a second plateau with sub-solar [α/Fe] values. We find the position of this knee to be at [Fe/H] ≈ –1.9 and therefore significantly more MP than expected from comparison with other dSphs and standard evolutionary models. Surprisingly, this value is rather comparable to the knee in Sculptor, a dSph ∼10 times less luminous than Fornax. Using chemical evolution models, we find that the position of the knee and the subsequent plateau at the sub-solar level can hardly be explained unless the galaxy experienced several discrete star formation (SF) events with a drastic variation in SF efficiency, while a uniform SF can be ruled out. One possible evolutionary scenario is that Fornax experienced one or several major accretion events from gas-rich systems in the past, so that its current stellar mass is not indicative of the chemical evolution environment at ancient times. If Fornax is the product of several smaller buildings blocks, this may also have implications for the understanding of the formation process of dSphs in general.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

A Verification Suite of Test Cases for the Barotropic Solver of Ocean Models

Abstract The development of any atmosphere or ocean model warrants a suite of test cases (TCs) to verify its spatial and temporal discretizations, order of accuracy, stability, reproducibility, portability, scalability, etc. In this paper, we present a suite of shallow water TCs designed to verify the barotropic solver of atmosphere and ocean models. These include the non‐dispersive coastal Kelvin wave; the dispersive inertia‐gravity wave; the dispersive planetary and topographic Rossby waves; the barotropic tide; and a non‐linear manufactured solution. These TCs check the implementation of the linear pressure gradient term; the linear constant or variable‐coefficient Coriolis and bathymetry terms; and the non‐linear advection terms. Simulation results are presented for a variety of time‐stepping methods as well as two spatial discretizations: a mimetic finite volume method based on the TRiSK scheme, and a high‐order discontinuous Galerkin spectral element method. The experimental procedure for conducting these numerical experiments is detailed. It underscores several key considerations that vary depending on the chosen spatial discretization method. Finally, convergence studies of every TC are conducted with refinement in both space and time, only in space, and only in time. The convergence slopes match the expected theoretical predictions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Optimal Design of Intensified Towers for CO2 Capture with Internal, Printed Heat Exchangers

Solvent-based carbon capture processes typically suffer from the temperature rise of the solvent due to the heat of absorption of CO2. This increased temperature is not thermodynamically favor-able and results in a significant reduction in performance in the absorber column. As opposed to interstage coolers, which only remove, cool, and return the solvent at discrete locations in the column, internal coolers that are integrated with the packing can cool the process inline, which can result in improved efficiency. This work presents the modeling of these internal coolers within an existing generic, equation-oriented absorber column model that can cool the process while allowing for simultaneous mass transfer. Optimization of this model is also performed, which is capable of optimally choosing the best locations to place these devices, such that heat removal and mass transfer area are balanced. Results of the optimization have shown that optimally placed cooling elements result in a significant increase in the capture efficiency of the process, compared to a similar column with no internal cooling, with a common trend being the cooling of the column in the temperature bulge region. It is observed that by optimally placing an internal cooler, the solvent flow rate can be decreased, and the CO2 lean loading can be increased while still maintaining the same efficiency. These process changes can lead to a substantial reduction in costs due to lower reboiler duty.

Summits, Stephen↗

NASA NTRS1997

Ice velocity at the ice front of the Filchner-Ronne Ice Shelf, Antarctica, as observed with ERS interferometry

ERS images of the two ends of the ice front of the Filchner-Ronne ice shelf (Antarctica) were utilized interferometrically to study the deformation rate of the ice shelf in response to viscous creep. On the western bank of Berkner Island (BI), near Hemmen Ice Rise (HIR), a time series of ERS data acquired in February 1992, in both ascending and descending mode, and with a three-day time interval, were utilized to map the ice velocity in two dimensions. Finite-element ice-shelf flow simulations are compared with the ERS interferograms to interpret the ice motion in terms of the physical constraints on ice-shelf flow. The efforts to fit artificial interferograms generated with model velocity output suggest that the flow regime is strongly influenced by three processes. First, a void-creation process responsible for rifts at coastal margins tends to uncouple the ice shelf from the ice rise and neighboring coast of BI. Secondly, sea ice within the void space appears to act as a binding agent between discrete ice-shelf fragments, allowing rigid-body rotations of these fragments. Third, strain rates appear to be enhanced in a narrow zone adjacent to HIR, implying significant strain softening along the boundary. It is believed that synthetic aperture radar (SAR) interferogram/model intercomparison represents a powerful impetus towards the development of better, more physically realistic ice-shelf flow models.

Rignot, Eric↗

NASA NTRSDate not supplied

Parallelized Quadrupole Simulations of Thermographic Responses of Composites

Thermography has been shown to be a viable technique for inspection of composites. Model inversion of the thermography data requires a fast method for performing the forward problem. Viable numerical methods for the thermal response forward problem are finite element, finite difference and the quadrupole method. Normally both the finite element and finite difference methods solve for the thermal response in the time domain which limits one’s ability to increase the speed of the simulation by parallelization. In contrast, the quadrupole method solves for the Laplace transform of the thermal response. One of the features of the Laplace transform methodology is the solution at any discrete time is independent of the solution at all other times. Therefore, it is easy to separate into a set of independent calculations with each of the times of interest being performed in parallel. Additionally, the numeric inversion of the Laplace transform typically involves numerically solving for the Laplace transform at multiple Laplace frequencies. Each of those solutions are also independent of solutions at other frequencies and can be calculated in parallel. By parallelization of this method, it is possible to perform the simulations of three-dimensional configurations in seconds. When the input stimulus for thermal response is a delta function heat flux (a reasonable approximation for flash heating), the thermal response is smooth. For this case, it is possible to accurately estimate the thermal response at any time within a given time interval from a set of simulations separated by exponentially increasing time steps. From these simulations, it is possible to accurately interpolate to find the response at intermediate times by a spline interpolation of the logarithm of time versus logarithm of temperature. The thermal response with exponential time stepping is shown to produce values for the thermal response which are within 1% of values within the time interval. The simulations are compared to finite element simulations of the same inspection configurations. The simulations are also compared to the thermographic measurements on composites where shape and depth of the delaminations are obtained from other inspection methods.

Thermography↗

NASA NTRSDate not supplied

Parallelized Quadrupole Simulations of Thermographic Responses of Composites

Thermography↗