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At least 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

In situ frustum indentation of nanoporous copper thin films

Mechanical properties of thin films are often obtained solely from nanoindentation. At the same time, such measurements are characterized by a substantial amount of uncertainty, especially when mean pressure or hardness are used to infer uniaxial yield stress. In this paper we demonstrate that indentation with a pyramidal flat tip (frustum) indenter near the free edge of a sample can provide a significantly better estimate of the uniaxial yield strength compared to frequently used Berkovich indenter. This is first demonstrated using a numerical model for a material with an isotropic pressure sensitive yield criterion. Numerical simulations confirm that the indenter geometry provides a clear distinction of the mean pressure at which a material transitions to inelastic behavior. The mean critical pressure is highly dependent on the plastic Poisson ratio ν p so that at the 1% offset of normalized indent depth, the critical pressure p m c normalized to the uniaxial yield strength σ 0 is 1 < p m c /σ 0 < 1.3 for materials with 0 < ν p < 0.5. Choice of a frustum over Berkovich indenter reduces uncertainty in hardness by a factor of 3. These results are used to interpret frustum indentation experiments on nanoporous (NP) Copper with struts of typical diameter of 45 nm. An estimate of the yield strength of NP Copper is obtained 230 MPa < σ 0 < 300 MPa. Edge indentation further allows one to obtain in-plane strain maps near the critical pressure. Finally, comparison of the experimentally obtained in-plane strain maps of NP Cu during deformation and the strain field for different plastic Poisson ratios suggest that this material has a plastic Poisson ratio of the order of 0.2–0.3. However, existing constitutive models may not adequately capture post-yield behavior of NP metals.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Simulating bubble dynamics in a buoyant system

Summary Multiphase flows are critical components of many physical systems; however, numerical models of multiphase flows with large parameter gradients can be challenging. Here, two different numerical methods, volume of fluid (VOF) and smoothed particle hydrodynamics (SPH), are used to model the buoyant rise of isolated gas bubbles through quiescent fluids for a range of Bond and Reynolds numbers. The VOF is an Eulerian grid–based method, whereas the SPH is Lagrangian and mesh free. Each method has unique strengths and weaknesses, and a comparison of the two approaches as applied to multiphase phenomena has not previously been performed. The VOF and SPH simulations are compared, verified, and validated. Results using two‐dimensional VOF and SPH simulations are similar to each other and are able to reproduce numerical benchmarks and experimental results for sufficiently large Morton and Reynolds numbers. It is also shown that at low Reynolds numbers, the two methods, SPH and VOF, diverge in the transient regime of the bubble rise. Regimes that require simulations capable of representing three‐dimensional drag are identified as well as regimes in which results from VOF and SPH diverge.

Arai, Erin↗
DOE OSTI2023

Multiscale Electrothermal Design of a Modular Multilevel Converter for Medium-Voltage Grid-Tied Applications

As a key feature of modular multilevel converters (MMCs), a large number of semiconductor devices are employed in the converter and distributed over a stack of submodules. Each submodule has a strict temperature limit that imposes constraints on the operating range of the converter. Different loading conditions/losses in the submodules lead to unavoidable temperature variations inside the MMC, which consequently affect the system-level performance and reliability. This paper is focused on the electrothermal analysis and design of a medium-voltage silicon carbide (SiC)-based MMC system, from submodule power semiconductors to the overall MMC system integration of multiple submodules, for grid-connected applications. Loss calculations are performed to estimate the cooling requirements and aid thermal design at different levels. The performance of a forced-air cooling approach is analyzed within a numerical modeling framework. Maximum temperature of the SiC power modules is predicted using numerical tools. Thermal design of the MMC cabinet with various arrangements of air inlet(s) and outlet(s) is investigated and compared from a cooling performance perspective. A fully resolved model of the arrangement that yields optimal results is developed to accurately predict the temperature profile of the essential components in the submodules.

computational fluid dynamics↗
DOE OSTI2018

Evolution of planar fractures in limestone: The role of flow rate, mineral heterogeneity and local transport processes

In this study, the processes that affect the evolution of fracture geometry and reactive transport in limestone fractures were evaluated using an integrated experimental and modeling approach. Flow-through experiments were performed to investigate the alteration of three artificially made planar limestone fractures, which were exposed to HCl-acidified water flow (pH 3.8 ± 0.1) at three different rates. Reactive infiltration instability developed in the fractures because of small fracture aperture variations and naturally occurring heterogeneity in the rock, i.e., the presence of clay spots of higher porosity. The dissolution regime changed from conical to dominant and ramified wormhole with increasing flow rate, i.e., Péclet number. Maps of fracture aperture obtained from X-ray micro-tomography imaging, together with measurements of permeability and analyses of fluid chemistry, provided experimental constraints for modeling. Numerical simulations were performed using a 2.5D continuum reactive transport model to examine the development of flow patterns and the reactivity and permeability evolution over time, and to interrogate the impacts of fluid reactivity, mineral heterogeneity and diffusive boundary layer. The modeling results showed that fracture alteration is very sensitive to initial fluid reactivity and mineralogical heterogeneity, in addition to flow rate. Finally, the changes of local transport processes during fracture opening also affected the reactivity of the fractured samples.

58 GEOSCIENCES↗
DOE OSTI2021

On the eigenvector bias of Fourier feature networks: From regression to solving multi-scale PDEs with physics-informed neural networks

Physics-informed neural networks (PINNs) are demonstrating remarkable promise in integrating physical models with gappy and noisy observational data, but they still struggle in cases where the target functions to be approximated exhibit high-frequency or multi-scale features. Here in this work we investigate this limitation through the lens of Neural Tangent Kernel (NTK) theory and elucidate how PINNs are biased towards learning functions along the dominant eigen-directions of their limiting NTK. Using this observation, we construct novel architectures that employ spatio-temporal and multi-scale random Fourier features, and justify how such coordinate embedding layers can lead to robust and accurate PINN models. Numerical examples are presented for several challenging cases where conventional PINN models fail, including wave propagation and reaction–diffusion dynamics, illustrating how the proposed methods can be used to effectively tackle both forward and inverse problems involving partial differential equations with multi-scale behavior.

42 ENGINEERING↗
DOE OSTI2019

Lattice Boltzmann modelling of the coupling between charge transport and electrochemical reactions in a solid oxide fuel cell with a patterned anode

A fundamental understanding of the electrochemical reactions and the associated transport processes in electrodes of solid oxide fuel cells (SOFCs) is critical to the development of new electrode materials. To date, however, our understanding of the electrode processes is still very limited due to the lack of well-designed experiments and carefully-validated predictive models. To facilitate studies in this area, we have developed a numerical model that has taken into consideration of the coupling between the transport of mobile charged species (e.g., ions and electrons) in conducting phases and the electrochemical reactions at the three phase boundaries of an SOFC anode. The validity of this model has been confirmed by the electrochemical performance of test cells with a patterned anode consisting of well-defined electronic and ionic conducting phases. The model is then applied to quantifying the factors that critically influence the performance of a patterned anode, resulting in three key dimensionless parameters governing the coupling of transport and reactions in the anode: the ratio of electronic-to-ionic conductivity (σ el /σ ion ), the dimensionless exchange current density (i ex /i 0 ), and the dimensionless electric potential (Fφ 0 /RT). In particular, it is found that only i ex /i 0 and Fφ 0 /RT play a significant role under typical SOFC operating conditions: anode performance increases with the increase in i ex /i 0 and Fφ 0 /RT. Accordingly, we have constructed a phase map to demonstrate the combined effect of i ex /i 0 and Fφ 0 /RT, which is helpful for rational design and operation of SOFC patterned electrodes of different materials and geometries. More importantly, our present model is also applicable to the study of actual porous SOFC electrodes with known 3D microstructures.

08 HYDROGEN↗
DOE OSTI2020

Clouds and Convective Self-Aggregation in a Multimodel Ensemble of Radiative-Convective Equilibrium Simulations

The Radiative-Convective Equilibrium Model Intercomparison Project (RCEMIP) is an intercomparison of multiple types of numerical models configured in radiative-convective equilibrium (RCE). RCE is an idealization of the tropical atmosphere that has long been used to study basic questions in climate science. Here, we employ RCE to investigate the role that clouds and convective activity play in determining cloud feedbacks, climate sensitivity, the state of convective aggregation, and the equilibrium climate. RCEMIP is unique among intercomparisons in its inclusion of a wide range of model types, including atmospheric general circulation models (GCMs), single column models (SCMs), cloud-resolving models (CRMs), large eddy simulations (LES), and global cloud-resolving models (GCRMs). The first results are presented from the RCEMIP ensemble of more than 30 models. While there are large differences across the RCEMIP ensemble in the representation of mean profiles of temperature, humidity, and cloudiness, in a majority of models anvil clouds rise, warm, and decrease in area coverage in response to an increase in sea surface temperature (SST). Nearly all models exhibit self-aggregation in large domains and agree that self-aggregation acts to dry and warm the troposphere, reduce high cloudiness, and increase cooling to space. The degree of self-aggregation exhibits no clear tendency with warming. There is a wide range of climate sensitivities, but models with parameterized convection tend to have lower climate sensitivities than models with explicit convection. In models with parameterized convection, aggregated simulations have lower climate sensitivities than unaggregated simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Parallel database search and prime factorization with magnonic holographic memory devices

In this work, we describe the capabilities of Magnonic Holographic Memory (MHM) for parallel database search and prime factorization. MHM is a type of holographic device, which utilizes spin waves for data transfer and processing. Its operation is based on the correlation between the phases and the amplitudes of the input spin waves and the output inductive voltage. The input of MHM is provided by the phased array of spin wave generating elements allowing the producing of phase patterns of an arbitrary form. The latter makes it possible to code logic states into the phases of propagating waves and exploit wave superposition for parallel data processing. We present the results of numerical modeling illustrating parallel database search and prime factorization. The results of numerical simulations on the database search are in agreement with the available experimental data. The use of classical wave interference may results in a significant speedup over the conventional digital logic circuits in special task data processing (e.g., √n in database search). Potentially, magnonic holographic devices can be implemented as complementary logic units to digital processors. Physical limitations and technological constrains of the spin wave approach are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Radiation transfer of models of massive star formation. III. The evolutionary sequence

We present radiation transfer simulations of evolutionary sequences of massive protostars forming from massive dense cores in environments of high mass surface densities, based on the Turbulent Core Model. The protostellar evolution is calculated with a multi-zone numerical model, with the accretion rate regulated by feedback from an evolving disk wind outflow cavity. The disk evolution is calculated assuming a fixed ratio of disk to protostellar mass, while the core envelope evolution assumes an inside-out collapse of the core with a fixed outer radius. In this framework, an evolutionary track is determined by three environmental initial conditions: the core mass M{sub c} , the mass surface density of the ambient clump Σ{sub cl}, and the ratio of the core's initial rotational to gravitational energy β {sub c}. Evolutionary sequences with various M{sub c} , Σ{sub cl}, and β {sub c} are constructed. We find that in a fiducial model with M{sub c} = 60 M {sub ☉}, Σ{sub cl} = 1 g cm{sup –2}, and β {sub c} = 0.02, the final mass of the protostar reaches at least ∼26 M {sub ☉}, making the final star formation efficiency ≳ 0.43. For each of the evolutionary tracks, radiation transfer simulations are performed at selected stages, with temperature profiles, spectral energy distributions (SEDs), and multiwavelength images produced. At a given stage, the envelope temperature depends strongly on Σ{sub cl}, with higher temperatures in a higher Σ{sub cl} core, but only weakly on M{sub c} . The SED and MIR images depend sensitively on the evolving outflow cavity, which gradually widens as the protostar grows. The fluxes at ≲ 100 μm increase dramatically, and the far-IR peaks move to shorter wavelengths. The influence of Σ{sub cl} and β {sub c} (which determines disk size) are discussed. We find that, despite scatter caused by different M{sub c} , Σ{sub cl}, β {sub c}, and inclinations, sources at a given evolutionary stage appear in similar regions of color-color diagrams, especially when using colors with fluxes at ≳ 70 μm, where scatter due to inclination is minimized, implying that such diagrams can be useful diagnostic tools for identifying the evolutionary stages of massive protostars. We discuss how intensity profiles along or perpendicular to the outflow axis are affected by environmental conditions and source evolution and can thus act as additional diagnostics of the massive star formation process.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Morphological and Electrochemical Characterization of Nanostructured Li 4 Ti 5 O 12 Electrodes Using Multiple Imaging Mode Synchrotron X-ray Computed Tomography

In this study, synchrotron X-ray computed tomography has been utilized using two different imaging modes, absorption and Zernike phase contrast, to reconstruct the real three-dimensional (3D) morphology of nanostructured Li 4 Ti 5 O 12 (LTO) electrodes. The morphology of the high atomic number active material has been obtained using the absorption contrast mode, whereas the percolated solid network composed of active material and carbon-doped polymer binder domain (CBD) has been obtained using the Zernike phase contrast mode. The 3D absorption contrast image revealed that some LTO nano-particles tend to agglomerate and form secondary micro-sized particles with varying degrees of sphericity. The tortuosity of electrode’s pore and solid phases were found to have directional dependence, different from Bruggeman’s tortuosity commonly used in macro-homogeneous models. The electrode’s heterogeneous structure was investigated by developing a numerical model to simulate galvanostatic discharge process using the Zernike phase contrast mode. The inclusion of CBD in the Zernike phase contrast results in an integrated percolated network of active material and CBD that is highly suited for continuum modeling. As a result, the simulation results highlight the importance of using the real 3D geometry since the spatial distribution of physical and electrochemical properties have a strong non-uniformity due to microstructural heterogeneities.

25 ENERGY STORAGE↗
DOE OSTI2018

LANL Salt International Update

This milestone presents material relating to international salt investigations during the 2018 fiscal year. Overall salt efforts this year were divided between the currently in-progress borehole experiments (see test plan TP-18-001, rev. 0 and DOE Milestone M3SF-18LA010303014), model development (see DOE milestone M3SF-18LA010303015), and validation of numerical modeling for generic salt repository applications domestically (intranational) and abroad (international). The present milestone focuses on the last of these subject areas. Work for international dissemination was conducted during the first half of the 2018 fiscal year and includes two international conference presentations - Geological Society of America (GSA) and the International Society for Porous Media (IntePore) - and a manuscript which is currently in review in Vadose Zone Journal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Gas-Cooled High-Temperature Pebble-Bed Reactor Reference Plant Model Updates

This work presents the latest improvements to, and investigations performed with, the pebble-bed high-temperature gas-cooled reactor (PB-HTGR) reference plant models for the United States Nuclear Regulatory Commission. These models serve as the foundation for the future development of detailed design evaluation models based on license applications. The reference plant models have been developed with the Comprehensive Reactor Analysis Bundle, or BlueCRAB, which is the code suite proposed for non-light-water reactor systems safety analysis. It incorporates various simulation tools developed by the Nuclear Energy Advanced Modeling and Simulation program, including the Griffin code for reactor physics, the Pronghorn and SAM codes for core thermal fluids, the BISON code for solid conduction and fuel performance, and the SAM code for system analysis. The primary objective of the work that was performed was to assess BlueCRAB’s level of readiness for modeling a PB-HTGR. To do so, we first developed numerical models in BlueCRAB that include the key physics for this technology to ensure an adequate level of fidelity for modeling PB-HTGR core performance and for performing multiphysics simulations for equilibrium core conditions and different accident scenarios. Then we simulated transient scenarios, including depressurized and pressurized loss of forced cooling accidents, over-cooling, and control rod withdrawal events with delayed and prompt supercritical reactivity insertions. The analysis in this report includes comparisons of the 2D thermal fluid porous media models in Pronghorn and SAM, and comparisons of coupled SAM/Griffin/SAM and coupled Pronghorn/Griffin for depressurized and pressurized loss of forced cooling, over-cooling, and control rod withdrawal events. In addition, we compare 3D, 2D, and 0D/PKE neutronic models for the two control rod withdrawal scenarios with coupled Pronghorn/Griffin. The comparisons show that the BlueCRAB models lead to physically intuitive solutions for the scenarios examined. The changes in the various scalar and vector fields, such as neutron flux, power, temperature, density, pressure, and velocity, are within the expected ranges, and their distributions can be explained by the system response of the transients and the geometric and material variations. Several comparisons suggest that the porous media models in Pronghorn and SAM can lead to similar solutions, even though they are based on different methodologies. This work further highlights the need for flexible tools with various levels of fidelity to cover the breadth and depth of needs that may arise in future technical evaluations of the PB-HTGR. We believe that the BlueCRAB capabilities will be a significant asset for confirmatory analyses in order to resolve important safety questions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1979

Confinement of hot, hard X-ray producing electrons in solar flares

Possible thermal models for solar, hard X-ray emission, consisting of small volumes in which the electrons are rapidly heated to 400 million K, are examined to determine under what conditions such models can be more efficient than nonthermal models. The analysis is restricted to one dimension by supposing that the hot electrons are confined in a flux tube and that conduction and convection act only along the magnetic field. A conduction front, thin in relation to other length scales involved, separates the hot electrons from the relatively cold plasma. The range of conduction-front velocity is studied by systematizing the present knowledge of heat conduction and applying it first to a simple model in which convection is neglected, and then to a detailed numerical model in which convection is included. Convection in which mass motion goes to zero at the conduction front does not lead to a change in the conduction-front velocity compared to conduction alone, but does constitute another nonradiative energy loss which reduces the source efficiency.

Smith, D. F.↗
NASA NTRS1983

A general computer model for predicting the performance of gas sorption refrigerators

Projected performance requirements for cryogenic spacecraft sensor cooling systems which demand higher reliability and longer lifetimes are outlined. The gas/solid sorption refrigerator is viewed as a potential solution to cryogenic cooling needs. A software model of an entire gas sorption refrigerator system was developed. The numerical model, evaluates almost any combination and order of refrigerator components and any sorbent-sorbate pair or which the sorption isotherm data are available. Parametric curves for predicting system performance were generated for two types of refrigerators, a LaNi5-H2 absorption cooler and a Charcoal-N2 adsorption cooler. It is found that precooling temperature and heat exchanger effectiveness affect the refrigerator performance. It is indicated that gas sorption refrigerators are feasible for a number of space applications.

Sigurdson, K. B.↗
NASA NTRS1985

A General-applications Direct Global Matrix Algorithm for Rapid Seismo-acoustic Wavefield Computations

A new matrix method for rapid wave propagation modeling in generalized stratified media, which has recently been applied to numerical simulations in diverse areas of underwater acoustics, solid earth seismology, and nondestructive ultrasonic scattering is explained and illustrated. A portion of recent efforts jointly undertaken at NATOSACLANT and NORDA Numerical Modeling groups in developing, implementing, and testing a new fast general-applications wave propagation algorithm, SAFARI, formulated at SACLANT is summarized. The present general-applications SAFARI program uses a Direct Global Matrix Approach to multilayer Green's function calculation. A rapid and unconditionally stable solution is readily obtained via simple Gaussian ellimination on the resulting sparsely banded block system, precisely analogous to that arising in the Finite Element Method. The resulting gains in accuracy and computational speed allow consideration of much larger multilayered air/ocean/Earth/engineering material media models, for many more source-receiver configurations than previously possible. The validity and versatility of the SAFARI-DGM method is demonstrated by reviewing three practical examples of engineering interest, drawn from ocean acoustics, engineering seismology and ultrasonic scattering.

Schmidt, H.↗
NASA NTRS1988

On the validation of a code and a turbulence model appropriate to circulation control airfoils

A computer code for calculating flow about a circulation control airfoil within a wind tunnel test section has been developed. This code is being validated for eventual use as an aid to design such airfoils. The concept of code validation being used is explained. The initial stages of the process have been accomplished. The present code has been applied to a low-subsonic, 2-D flow about a circulation control airfoil for which extensive data exist. Two basic turbulence models and variants thereof have been successfully introduced into the algorithm, the Baldwin-Lomax algebraic and the Jones-Launder two-equation models of turbulence. The variants include adding a history of the jet development for the algebraic model and adding streamwise curvature effects for both models. Numerical difficulties and difficulties in the validation process are discussed. Turbulence model and code improvements to proceed with the validation process are also discussed.

Viegas, J. R.↗