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At least 1,747 records · Page 97

Design, development, and test of a laser velocimeter for a small 8:1 pressure ratio centrifugal compressor

The instrument was designed as a diagnostic tool for the basic fluid dynamics of the inducer, impeller, and diffuser regions of this type compressor. The LV instrumentation was optimized to measure instantaneous velocities up to approximately 500 m/s, measured in absolute coordinates, within the rotating compressor impeller and in the two dimensional radial plane of the diffuser. Some measurements were made within the diffuser and the impeller inlet flows; however, attempts to make detailed measurements of the velocity field were not successful. Difficulties in maintaining high seed particle rates within the probe volume and the improper operation of the blade gating optics may explain the lack of success. Recommendations are made to further pursue these problems. At 100% speed the stage attained a total static pressure ratio of 7.5:1 at 75% total-static efficiency. Flow range from choke-to-surge was 6.8% of choking mass flow rate. Performance was lower than the design intent of 8:1 pressure ratio at 77% efficiency and 12% flow range. Detailed measurements of the stage components are presented which show the reasons for the stage performance deficiencies.

Dolan, F. X.↗

High accuracy solutions of incompressible Navier-Stokes equations

In recent years, high accuracy finite difference approximations were developed for partial differential equations of elliptic type, with particular emphasis on the convection-diffusion equation. These approximations are of compact type, have a local truncation error of fourth order, and allow the use of standard iterative schemes to solve the resulting systems of algebraic equations. These high accuracy approximations are extended to the solution of Navier-Stokes equations. Solutions are obtained for the model problem of driven cavity and are compared with solutions obtained using other approximations and those obtained by other authors. It is discovered that the high order approximations do indeed produce high accuracy solutions and have a potential for use in solving important problems of viscous fluid flows.

Gupta, Murli M.↗

Convergence of infinite dimensional sampled LQR problems - Theory and numerical results

A theory is developed for the convergence of the closed-loop solution to infinite-dimensional discrete-time linear-quadratic regulator (LQR) problems on the infinite time interval to the solution of a corresponding continuous-time LQR problem as the length of the sampling interval tends toward zero. Convergence of solutions to the operator algebraic Riccati equation and corresponding optimal feedback control gains is guaranteed under appropriate uniform stabilizability and detectability conditions and consistent sampling. Also presented are numerical results involving the optimal LQ control of a heat or diffusion equation, a hereditary or delay differential equation, and a hybrid system of ordinary and partial differential equations describing the transverse vibration of a cantilevered Voigt-Kelvin viscoelastic beam with tip mass.

Rosen, I. G.↗

Magnetic Flux Compression Concept for Nuclear Pulse Propulsion and Power

The desire for fast, efficient interplanetary transport requires propulsion systems having short acceleration times and very high specific impulse attributes. Unfortunately, most highly efficient propulsion systems which are within the capabilities of present day technologies are either very heavy or yield very low impulse such that the acceleration time to final velocity is too long to be of lasting interest, One exception, the nuclear thermal thruster, could achieve the desired acceleration but it would require inordinately large mass ratios to reach the range of desired final velocities. An alternative approach, among several competing concepts that are beyond our modern technical capabilities, is a pulsed thermonuclear device utilizing microfusion detonations. In this paper, we examine the feasibility of an innovative magnetic flux compression concept for utilizing microfusion detonations, assuming that such low yield nuclear bursts can be realized in practice. In this concept, a magnetic field is compressed between an expanding detonation driven diamagnetic plasma and a stationary structure formed from a high temperature superconductor (HTSC). In general, we are interested in accomplishing two important functions: (1) collimation of a hot diamagnetic plasma for direct thrust production; and (2) pulse power generation for dense plasma ignition. For the purposes of this research, it is assumed that rnicrofusion detonation technology may become available within a few decades, and that this approach could capitalize on recent advances in inertial confinement fusion ICF) technologies including magnetized target concepts and antimatter initiated nuclear detonations. The charged particle expansion velocity in these detonations can be on the order of 10 (exp 6)- 10 (exp 7) meters per second, and, if effectively collimated by a magnetic nozzle, can yield the Isp and the acceleration levels needed for practical interplanetary spaceflight. The ability to ignite pure fusion micro-bursts with reasonable levels of input energy is an equally challenging scientific problem. It remains to be seen, however, whether an effective ignition driver can be developed which meets the requirements for practical spaceflight application (namely high power density, compactness, low weight, and low cost). In this paper, system level performance and design issues are examined including generator performance, magnetic flux compression processes, magnetic diffusion processes, high temperature superconductor (HTSC) material properties, plasmadynamic processes, detonation plasma expansion processes, magnetohydrodynamic instabilities, magnetic nozzle performance, and thrust production performance. Representative generator performance calculations based on a simplified skin layer formulation are presented as well as the results of exploratory small-scale laboratory experiments on magnetic flux diffusion in HTSC materials. In addition, planned follow-on scientific feasibility experiments are described which utilize high explosive detonations and high energy gas discharges to simulate the plasma conditions associated with thermonuclear micro-detonations.

Litchford, Ronald J.↗

The Role of Kinetic Processes in Magnetospheric Dynamics

The question of whether the micro scale controls the macro scale or vice-versa remains one of the most challenging problems in plasmas. A particular topic of interest within this context is collisionless magnetic reconnection, where both points of views are espoused by different groups of researchers. This presentation will focus on this topic. We will begin by analyzing the global properties of magnetic reconnection. Following that, we discuss properties of electron diffusion region dynamics both for guide field and antiparallel reconnection, and how they can be scaled to different inflow conditions. As a next step, we will study typical temporal variations of the microscopic dynamics with the objective of understanding the potential for secular changes to the macroscopic system. The research will be based on a combination of analytical theory and numerical modeling.

Hesse, Michael↗

Development of a Performance Portable Non-Equilibrium Plasma Fluid Solver on Adaptive Grids

This presentation will describe the numerical techniques, programming paradigms, verification, and performance of a non-equilibrium plasma fluid solver that can effectively utilize current and upcoming central processing and graphics processing unit (CPU+GPU) architectures. Our plasma fluid model solves the conservation equations for self-consistent electrostatic Poisson, electron and heavy species transport, and electron temperature on adaptive Cartesian grids. Our solver is written using performance portable adaptive mesh management library, AMReX (Zhang et al., JOSS, 4 (37) 1370, 2019), and can be built and run on widely available vendor specific GPU architectures (NVIDIA/AMD/Intel). We utilize a non-subcycled second order semi-implicit time-stepping method where all adaptive mesh refinement (AMR) levels are advanced with the same time step. The composite multi-level multigrid solver from within AMReX is used for each of the governing equations that are cast into a Helmholtz equation form. We have also developed a python based chemical mechanism parser framework that uses a similar format as CANTERA (Goodwin et al., Zenodo, 2018) yaml files as input. Our custom parser reads the yaml file and provides C++ files with transport and production rate functions that can be executed on both host (CPU) and device (GPU). We present verification of our solver using method of manufactured solutions that indicate formal second order accuracy with central diffusion and fifth order weighted-essentially-non-oscillatory (WENO) advection scheme. We also verify our solver with published literature on low-pressure capacitive and high-pressure streamer discharges. Our initial performance studies indicate 10X speed-up using 20 NVIDIA GPUs versus 200 CPUs for an atmospheric streamer discharge problem solved on a 512 x 1024 x 512 grid.

graphics processing units↗

A transformed path integral approach for solution of the Fokker–Planck equation

A novel path integral (PI) based method for solution of the Fokker–Planck equation is presented. The proposed method, termed the transformed path integral (TPI) method, utilizes a new formulation for the underlying short-time propagator to perform the evolution of the probability density function (PDF) in a transformed computational domain where a more accurate representation of the PDF can be ensured. The new formulation, based on a dynamic transformation of the original state space with the statistics of the PDF as parameters, preserves the non-negativity of the PDF and incorporates short-time properties of the underlying stochastic process. New update equations for the state PDF in a transformed space and the parameters of the transformation (including mean and covariance) that better accommodate nonlinearities in drift and non-Gaussian behavior in distributions are proposed (based on properties of the SDE). Owing to the choice of transformation considered, the proposed method maps a fixed grid in transformed space to a dynamically adaptive grid in the original state space. The TPI method, in contrast to conventional methods such as Monte Carlo simulations and fixed grid approaches, is able to better represent the distributions (especially the tail information) and better address challenges in processes with large diffusion, large drift and large concentration of PDF. Additionally, in the proposed TPI method, error bounds on the probability in the computational domain can be obtained using the Chebyshev's inequality. The benefits of the TPI method over conventional methods are illustrated through simulations of linear and nonlinear drift processes in one-dimensional and multidimensional state spaces. The effects of spatial and temporal grid resolutions as well as that of the diffusion coefficient on the error in the PDF are also characterized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Is the surface oxygen exchange rate linked to bulk ion diffusivity in mixed conducting Ruddlesden–Popper phases?

There is a possible link between oxygen surface exchange rate and bulk oxygen anion diffusivity in mixed ionic and electronic conducting oxides; it is a topic of great interest and debate. While a large body of experimental evidence and theoretical analyses support a link, observed differences between bulk and surface composition of these materials are hard to reconcile with this observation. This is further compounded by potential problems with simultaneous measurement of both parameters. Here we utilize separate techniques, in situ neutron diffraction and pulsed isotopic surface exchange, to examine bulk ion mobility and surface oxygen exchange rates of three Ruddlesden-Popper phases, general form A n-1 A 2 'BnO 3n+1 , A n-1 A 2 'BnX 3n+1 ; LaSrCo 0.5 Fe 0.5 O 4-δ (n = 1), La 0.3 Sr 2.7 CoFeO 7-δ (n = 2) and LaSr 3 Co 1.5 Fe 1.5 O 10-δ (n = 3). These measurements are complemented by surface composition determination via high sensitivity-low energy ion scattering. We observe a correlation between bulk ion mobility and surface exchange rate between materials. The surface exchange rates vary by more than one order of magnitude with high anion mobility in the bulk of an oxygen vacancy-rich n = 2 Ruddlesden-Popper material correlating with rapid oxygen exchange. Furthermore this is in contrast with the similar surface exchange rates which we may expect due to similar surface compositions across all three samples. This paper conclude that experimental limitations lead to inherent convolution of surface and bulk rates, and that surface exchange steps are not likely to be rate limiting in oxygen incorporation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Self-consistent modeling of radio-frequency plasma generation in stellarators

A self-consistent model of radio-frequency (RF) plasma generation in stellarators in the ion cyclotron frequency range is described. The model includes equations for the particle and energy balance and boundary conditions for Maxwell’s equations. The equation of charged particle balance takes into account the influx of particles due to ionization and their loss via diffusion and convection. The equation of electron energy balance takes into account the RF heating power source, as well as energy losses due to the excitation and electron-impact ionization of gas atoms, energy exchange via Coulomb collisions, and plasma heat conduction. The deposited RF power is calculated by solving the boundary problem for Maxwell’s equations. When describing the dissipation of the energy of the RF field, collisional absorption and Landau damping are taken into account. At each time step, Maxwell’s equations are solved for the current profiles of the plasma density and plasma temperature. The calculations are performed for a cylindrical plasma. The plasma is assumed to be axisymmetric and homogeneous along the plasma column. The system of balance equations is solved using the Crank-Nicholson scheme. Maxwell’s equations are solved in a one-dimensional approximation by using the Fourier transformation along the azimuthal and longitudinal coordinates. Results of simulations of RF plasma generation in the Uragan-2M stellarator by using a frame antenna operating at frequencies lower than the ion cyclotron frequency are presented. The calculations show that the slow wave generated by the antenna is efficiently absorbed at the periphery of the plasma column, due to which only a small fraction of the input power reaches the confinement region. As a result, the temperature on the axis of the plasma column remains low, whereas at the periphery it is substantially higher. This leads to strong absorption of the RF field at the periphery via the Landau mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Multilevel, Hierarchical Sampling Technique for Spatially Correlated Random Fields

In this paper, we propose an alternative method to generate samples of a spatially correlated random field with applications to large-scale problems for forward propagation of uncertainty. A classical approach for generating these samples is the Karhunen--Loève (KL) decomposition. However, the KL expansion requires solving a dense eigenvalue problem and is therefore computationally infeasible for large-scale problems. Sampling methods based on stochastic partial differential equations provide a highly scalable way to sample Gaussian fields, but the resulting parametrization is mesh dependent. We propose a multilevel decomposition of the stochastic field to allow for scalable, hierarchical sampling based on solving a mixed finite element formulation of a stochastic reaction-diffusion equation with a random, white noise source function. Lastly, numerical experiments are presented to demonstrate the scalability of the sampling method as well as numerical results of multilevel Monte Carlo simulations for a subsurface porous media flow application using the proposed sampling method.

97 MATHEMATICS AND COMPUTING↗

Pececillo

Pececillo is a proxy-app for the open source Truchas metal processing code (LA-CC-15-097). It implements many of the physics models used in Truchas: free-surface, incompressible Navier-Stokes fluid dynamics (e.g., water waves); heat transport, material phase change, view factor thermal radiation; species advection-diffusion; quasi-static, elastic/plastic solid mechanics with contact; electomagnetics (Maxwell's equations). The models are simplified versions that retain the fundamental computational complexity of the Truchas models while omitting many non-essential features and modeling capabilities. The purpose is to expose Truchas algorithms in a greatly simplified context where computer science problems related to parallel performance on advanced architectures can be more easily investigated. While Pececillo is capable of performing simulations representative of typical Truchas metal casting, welding, and additive manufacturing simulations, it lacks many of the modeling capabilites needed for real applications.

Jibben, Zechariah↗

Performance Improvements for the Griffin Transport Solvers

Griffin is a Multiphysics Object-Oriented Simulation Environment based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. Griffin includes a variety of deterministic radiation transport solvers for fixed source, k-eigenvalue, adjoint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. A code assessment performed in FY-20 identified two significant issues with the transport solvers in Griffin: first, the primary heterogeneous SN (discrete ordinates) transport solver based on continuous finite element methods required significant mesh refinement and higher memory usage compared to solvers based on the method of characteristic for equivalent accuracy. Second, the homogeneous PN (spherical harmonics expansion) transport solver did not adequately support polynomial refinement, which is a feature usually required for problems with spatial homogenization and pronounced streaming, typical in fast or gas-cooled reactor systems. To address the first issue, the development effort focused on the more promising discontinuous finite element method (DFEM)-based SN transport solver in Griffin. The addition of an asynchronous parallel transport sweeper and coarse mesh finite difference (CMFD) acceleration have rendered a superior heterogeneous SN transport capability for multiphysics problems that requires far less computing resources in terms of both CPU time and memory usage. This is demonstrated with typical thermal- and fast-spectrum reactor benchmark problems, including 2D Transient Reactor Test, 3D Advanced Burner Test Reactor (ABTR), and 2D and 3D Empire microreactor. For the second issue, the development effort focused on a new transport solver based on the hybrid finite element PN method (HFEM-PN), equivalent to the variational nodal method, as well as a new diffusion solver based on HFEM-Diffusion. This solver is intended for homogenized domains with multiphysics coupling (i.e., supports mesh displacement, seamless temperature feedback, etc.). Initial calculations with the HFEM-Diffusion implementation show very good parallel efficiency for the residual evaluations with the 2D ABTR benchmark. A future development effort will be centered on further improvements to the CMFD, HFEM-PN, and DFEM diffusion solvers to ensure Griffin meets performance and software quality assurance requirements for advanced reactor design and analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Windblown dust on Venus

The threshold frictional velocity necessary to initiate grain movement on the Venus surface is 1 to 2 cm/s. Particles smaller than 30 or 40 microns in effective diameter will also be so moved and suspended at the threshold of movement. Theoretical arguments and Venera 8 Doppler measurements suggest marginally that dust should not be raised at the Venera 8 landing site (10 deg S), but should be raised at higher latitudes. Dust carried to tens of kilometers altitude will be transported over the entire planet and may make important contributions to the solar energy deposition, general circulation, and cloud chromosphere problems. However, the Venera 8 photometer measurements and the low albedo of reasonable surface materials imply a clear lower atmosphere at 10 deg S, despite the fact that dust raised at high latitudes should contribute to the aerosol content at this latitude. Dust raising on Venus may be inhibited by limited vertical turbulent diffusion or by thermal sintering of particles on the planetary surface.

Sagan, C.↗

Review of Problems in Application of Supersonic Combustion

The problem of air-breathing engines capable of flying at very high Mach numbers is described briefly. Possible performance of supersonic combustion ramjets is outlined briefly and the supersonic combustion process is described. Two mechanisms of combustion are outlined: one is supersonic combustion controlled by convection process, and the second is controlled by diffusion. The parameters related to the combustion process are discussed in detail. Data and analyses of reaction rates and mixing phenomena are represented; the flame mechanism is discussed, and experimental results are presented.

Antonio Ferri↗

Dynamics in Layer Models of Solid Flame Propagation

Self-propagating high-temperature synthesis (SHS) is a process in which combustion waves, e.g., "solid flames", which are considered here, are employed to synthesize desired materials. Like many other systems, SHS is a pattern forming system. The problem of describing experimentally observed patterns and of predicting new, as yet unobserved, patterns continues to attract the attention of scientists and mathematicians due to the fundamental significance of the phenomena in combustion in particular, and in nonlinear science in general. Here, we analyze the dynamics of solid flame propagation in a 2D region by considering the region to be composed of parallel, identical layers aligned along the direction of propagation and having thermal contact. Each layer is then described by wave propagation in 1D, with the transverse Laplacian replaced by a term describing heat exchange between neighboring layers. This configuration is the simplest model of a 2D system because it accounts, in a simple way, for the principal feature of the problem, i.e., heat exchange between neighbors in the transverse direction. For simplicity, we describe the situation for two layers. Because the layers are identical, uniformly propagating waves in each layer must be identical, independent of the heat exchange rate alpha. When the Zeldovich number Z exceeds a critical value Z(sub c), which depends on alpha, uniformly propagating waves become unstable. The stability diagram for the two coupled layers reproduces that for the full 2D problem after appropriate identification of parameters in the two problems. Depending on parameter values, we determine three different steady-state dynamical behaviors (though additional behaviors are also expected to occur). The three behaviors are: (i) waves in each layer which pulsate in phase as they propagate, so that together they form a single pulsating propagating wave; (ii) the waves in each layer are no longer identical, and antiphase pulsations occur, with the two waves alternately advancing and receding as they propagate. This wave is the analog of the spinning wave on the surface of a circular cylinder; (iii) finally, there is a region of bistability between the in phase and antiphase waves. with each having its own domain of attraction, so that which of the two behaviors occur depends on the condition of initiation of the wave. The results of our computations indicate a qualitative similarity in the behavior of combustion waves in the layer model and in the full 2D model. Specifically, due to the similarity between the small alpha wave behavior in the layer model and the large diameter behavior in the model of waves on the surface of a cylinder, we are able to predict the behavior of the mean velocity for the waves on the cylinder, where computations of the full problem can be rather difficult. We also compute solutions for three or more layers. The results of our computations prompt us to predict that, while planar uniformly propagating waves are unstable, the wave will be quasiplanar, i.e., the resulting spinning waves have very low amplitude hot spots, and travel with the velocity close to that of the uniformly propagating wave. Such waves may be difficult to distinguish from uniformly propagating waves in experiments. We also find that for both the layer model and full 2D problem, steady-state time-dependent waves, e.g., pulsating and spinning wave, have a conserved quantity H which characterizes the excess energy in the wave, just as in the case of uniformly propagating waves. The quantity H, which is generated by dissipation, does not vary in time and is proportional to the diffusivity and caloricity of the system, and inversely proportional to the mean wave velocity.

Aldushin, A. P.↗

Pececillo

Pececillo is a proxy-app for the open source Truchas metal processing code (LA-CC-15-097). It implements many of the physics models used in Truchas: free-surface, incompressible Navier-Stokes fluid dynamics (e.g., water waves); heat transport, material phase change, view factor thermal radiation; species advection-diffusion; quasi-static, elastic/plastic solid mechanics with contact; electomagnetics (Maxwell's equations). The models are simplified versions that retain the fundamental computational complexity of the Truchas models while omitting many non-essential features and modeling capabilities. The purpose is to expose Truchas algorithms in a greatly simplified context where computer science problems related to parallel performance on advanced architectures can be more easily investigated. While Pececillo is capable of performing simulations representative of typical Truchas metal casting, welding, and additive manufacturing simulations, it lacks many of the modeling capabilites needed for real applications.

Carlson, Neil↗

Biochemical Process Modeling and Simulation (BPMS)

The Biochemical Process Modeling and Simulation project aims to reduce the cost and time of research by applying theory, modeling, and simulation to the most relevant bottlenecks in the biochemical process. We use molecular modeling, quantum mechanics, metabolic modeling, fluid dynamics, and reaction-diffusion methods in close collaboration with pretreatment, hydrolysis, upgrading, and TEA. The project's outcomes are increased yields and efficiency of the biochemical process, added value to products, and reduced price of fuels by specifically targeting catalytic efficiency, reactor design, enzyme efficiency, and microbial design. We work closely with experimental projects to identify problems and iterate with experiments to find and refine solutions. By working with experimentalists, we decide on problems that can be solved with simulation that could otherwise not be solved or would take too long with experiment alone to reach BETO's targets. Over the years, we have produced solutions that have resulted in determining the most likely fatty-acid derivative for passive transport out of bacteria that upgrade biomass, and we have also designed enzyme mutations for enhanced lignin upgrading. Metabolic models have been developed to tune the activity of 2,3 butanediol production for the 2030 target. A computational method to deliver understanding of how complex omics data can be interpreted in the metabolic pathways of organisms used in the Agile Biofoundry. We have found methods to overcome specific barriers and continue to develop those methods. Our reactor studies have guided the design of both the microbes and reactors for aerobic and micro-aerobic production at all scales and have been instrumental in improving the accuracy of techno-economic analysis models. This project is essential in the process of selecting the final processes for 2030 SAF production targets. More specifically, recently, we have: 1) Predicted the strength of the basic structural interactions in commodity plastics to provide guidance for plastics upcycling strategies. 2) Developed computational tool to improve the characterization of lignin-derived compounds 3) Developed new methodologies to enable Machine Learning-based Directed Evolution for protein engineering. 4) Developed Machine Learning methods to predict protein promiscuity and mutations to further improve microbial and enzymatic driven processes and demonstrated the utility of ML approaches to engineering proteins from sparse experimental datasets. 5) Developed new methods to enable high-fidelity simulation of aerobic fermentation at industrial scale and resolving mismatch of time scales through subcycling/operator splitting 7) Identified the difficulty in preventing local high-oxygen conditions in industrial bubble columns, which leads to less-desirable acetoin production, suggesting future research directions in alternative reactor configurations (e.g loop reactors, shallow-channel reactors).

BIOMASS FUELS↗