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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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This paper provides results of numerical simulations of graphene conductivity. The numerical results were performed in tight-biding model with Coulomb potential screened by σ electron of carbon atoms. The dependence of the graphene conductivity on the dielectric permittivity of substrate was calculated. The results agreeds with experimental data.
An analytic approach combining the effect of equilibrium diamagnetic flows and the finite ionsound gyroradius associated with electron−ion decoupling and kinetic Alfvén wave dispersion is derived to study resistive drift instabilities in a plasma slab. Linear numerical computations using the NIMROD code are performed with cold ions and hot electrons in a plasma slab with a doubly periodic box bounded by two perfectly conducting walls. A linearly unstable resistive drift mode is observed in computations with a growth rate that is consistent with the analytic dispersion relation. The resistive drift mode is expected to be suppressed by magnetic shear in unbounded domains, but the mode is observed in numerical computations with and without magnetic shear. In the slab model, the finite slab thickness and the perfectly conducting boundary conditions are likely to account for the lack of suppression.
Propagation of whistler-mode waves in magnetized plasma in the presence of small-scale field-aligned irregularities with enhanced or depressed plasma density is simulated numerically. The numerical experiments have demonstrated the effect of guided propagation of whistler-mode waves in plasma regions occupied by irregularities with transverse dimensions smaller than the whistler wavelength in uniform plasma. It is shown that not only individual irregularities but also the entire modified region, which serves as a specific guiding structure, exhibit waveguide properties.
The numerical simulation, and theoretical and experimental optimization of field-effect microwave high-electron-mobility transistors (HEMTs) based on GaN/AlN/AlGaN heterostructures are performed. The results of the study showed that the optimal thicknesses and compositions of the heterostructure layers, allowing high microwave power implementation, are in relatively narrow ranges. It is shown that numerical simulation can be efficiently applied to the development of microwave HEMTs, taking into account basic physical phenomena and features of actual device structures.
MADNESS (multiresolution adaptive numerical environment for scientific simulation) is a high-level software environment for solving integral and differential equations in many dimensions that uses adaptive and fast harmonic analysis methods with guaranteed precision based on multiresolution analysis and separated representations. Underpinning the numerical capabilities is a powerful petascale parallel programming environment that aims to increase both programmer productivity and code scalability. This paper describes the features and capabilities of MADNESS and briefly discusses some current applications in chemistry and several areas of physics.
Fully implicit Runge--Kutta (IRK) methods have many desirable properties as time integration schemes in terms of accuracy and stability, but high-order IRK methods are not commonly used in practice with numerical PDEs due to the difficulty of solving the stage equations. This paper introduces a theoretical and algorithmic preconditioning framework for solving the systems of equations that arise from IRK methods applied to linear numerical PDEs (without algebraic constraints). Additionally, this framework also naturally applies to discontinuous Galerkin discretizations in time. Under quite general assumptions on the spatial discretization that yield stable time integration, the preconditioned operator is proven to have condition number bounded by a small, order-one constant, independent of the spatial mesh and time-step size, and with only weak dependence on number of stages/polynomial order; for example, the preconditioned operator for 10th-order Gauss IRK has condition number less than two, independent of the spatial discretization and time step. The new method can be used with arbitrary existing preconditioners for backward Euler-type time-stepping schemes and is amenable to the use of three-term recursion Krylov methods when the underlying spatial discretization is symmetric. The new method is demonstrated to be effective on various high-order finite-difference and finite element discretizations of linear parabolic and hyperbolic problems, demonstrating fast, scalable solution of up to 10th-order accuracy. The new method consistently outperforms existing block preconditioning approaches, and in several cases, the new method can achieve 4th-order accuracy using Gauss integration with roughly half the number of preconditioner applications and wallclock time as required using standard diagonally IRK methods.
The Fokker–Planck equation (FPE) is an important deterministic tool for investigating stochastic dynamical systems. In this paper, we consider the space-time fractional FPE driven by multiplicative Marcus Lévy noises. Efficient numerical schemes are presented to solve the equations. Stability and convergence of the methods are also discussed. We give some numerical experiments to validate our schemes, and examine the effects of parameters on solutions. Additionally, we analyze the maximal likely trajectories and the critical time for the change of the most probability location.
Cooling plates in battery packs of electric vehicles play critical roles in passive thermal management systems to reduce risks of catastrophic thermal runaway. In this work, a series of numerical simulations and experiments are carried out to unveil the role of cooling plates (both between cells and a bottom plate parallel to the cell stack) on the thermal behavior of battery modules and packs under nail penetrations. First, we investigated the role of side cooling plates on the thermal runaway propagation mitigation in battery modules (1S3P) and packs (3S3P) by varying the key parameters of the side cooling plates, such as plate thicknesses, thermal contact resistances, and materials. Then, three important factors for passive thermal management systems are identified: (i) thermal mass of side cooling plates, (ii) interfacial thermal contact resistances, and (iii) the effective heat transfer coefficients at exterior surfaces. The roles of bottom cooling plates on thermal runaway propagation mitigation in 1S3P and 1S5P battery modules are numerically investigated by comparing the thermal behavior of the modules with only side cooling plates and with both side and bottom cooling plates.
This study presents a method to develop an aeroelastic model of a smart section blade equipped with microtab. The model is suitable for potential passive vibration control study of the blade section in classic flutter. Equations of the model are described by the nondimensional flapwise and torsional vibration modes coupled with the aerodynamic model based on the Theodorsen theory and aerodynamic effects of the microtab based on the wind tunnel experimental data. The aeroelastic model is validated using numerical data available in the literature and then utilized to analyze the microtab control capability on flutter instability case and divergence instability case. The effectiveness of the microtab is investigated with the scenarios of different output controllers and actuation deployments for both instability cases. The numerical results show that the microtab can effectively suppress both vibration modes with the appropriate choice of the output feedback controller.
In this comment, we point out possible critical numerical flaws of recent particle simulation studies (Jiang et al 2016 Nucl. Fusion 56 126017, Peng et al 2018 Nucl. Fusion 58 026007) on the electrical gas breakdown in a simple one-dimensional periodic slab geometry. We show that their observations on the effects of the ambipolar electric fields during the breakdown, such as the sudden reversal of the ion flow direction, could not be real physical phenomena but resulting from numerical artifacts violating the momentum conservation law. We show that an incomplete implementation of the direct-implicit scheme can cause the artificial electric fields and plasma transports resulting in fallacies in simulation results. We also discuss that their simple plasma model without considering poloidal magnetic fields seriously mislead the physical mechanism of the electrical gas breakdown because it cannot reflect important dominant plasma dynamics in the poloidal plane (Yoo et al 2018 Nat. Commun. 9 3523).
SAND2021-15064 O ROMANS, or Reduced Order Modeling for Accelerating Numerical Simulations, is an open source software for accelerating numerical simulations. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.
FTTN is a test suite to evaluate the numerical behaviors of matrix accelerators of GPUs (NVIDIA Tensor Cores and AMD Matrix Cores) in a quick and simple setting. Matrix accelerators are heavily used in today's computationally intense applications to speed up matrix multiplications. This test suite provides a comprehensive study on the numerical behaviors of these accelerators, including support for subnormals, rounding modes, extra precision bits and FMA features. Is there
Very High Temperature Reactors (VHTRs) are one of the Generation IV gas-cooled reactor models proposed for implementation in next generation nuclear power plants. A high temperature/pressure test facility for forced and natural circulation experiments has been constructed. This test facility consists of a single flow channel in a 2.7 m (9’) long graphite column equipped with four 2.3kW heaters. Extensive 3D numerical modeling provides a detailed analysis of the thermal-hydraulic behavior under steady-state, transient, and accident scenarios. In addition, forced/mixed convection experiments with air, nitrogen and helium were conducted for inlet Reynolds numbers from 500 to 70,000. Our numerical results were validated with forced convection data displaying maximum percentage errors under 15%, using commercial finite element package, COMSOL Multiphysics. Based on this agreement, important information can be extracted from the model, with regards to the modified radial velocity and property gas profiles. Our work also examines flow laminarization for a full range of Reynolds numbers including laminar, transition and turbulent flow under forced convection and its impact on heat transfer under various scenarios to examine the thermal-hydraulic phenomena that could occur during both normal operation and accident conditions.
With numerical simulations we demonstrate that laser-driven electrons near solid targets bunch together and travel along a synchrotron-like trajectories. The effect of numerical resolution on the formation of these nanoscale bunches is studied.
An efficient numerical time-dependent general method is developed to address incoherent pulse overlap and lifetime effects in laser amplifiers. The alternating propagation-population laser energetics method (APPLE) has been validated against a semi-discrete coupled rate equation numerical method (SDRE) and analytic formalisms in bounding cases. APPLE is based on decoupled rates applied to a time-dependent framework where both space-time-dependent populations and pulse energetics are consistently updated in each time step. A significant advantage of APPLE lies in its conceptual simplicity, ease of implementation, and relatively small computational cost. SDRE tracks the populations through coupled rates and uses the method of lines to discretize the hyperbolic partial differential transport equations allowing for use of ordinary differential equation solvers. With reasonably sized mesh, we report both energetic and power pulse shape relative differences on the order of one percent between the models over a large range of initial conditions.
In laser-direct-drive inertial confinement fusion (ICF), laser shinethrough is the process associated with laser propagation through the target plastic ablator, polystyrene is often used in ICF experiments, and leads to energy deposition in the target until the critical density is established at the ablator front surface. This process causes material modifications that may change the shock propagation and lead to density and pressure perturbations at the interface between the polystyrene and cryogenic deuterium-tritium (DT) layer. This work reports on experimental observations and numerical investigations of laser shinethrough at the third and the fourth harmonic of ICF class laser systems (1 ω corresponds to a wavelength of ∼1.06 μm ). The experiments evidence that, at 4 ω , the laser is absorbed over a distance of about a few microns and laser shinethrough is completely eliminated in contrast with the behavior at 3 ω . These experimental observations are reproduced by numerical simulations. The laser fluence required to reach the critical density at the ablator front surface is also found to be more than one order of magnitude higher at the third harmonic. Finally, modeling suggests that the back surface of the ablator exhibits ion temperatures greater than the melting temperature of cryogenic DT and electron pressure larger than the bulk and shear moduli of cryogenic DT for the case of using a 3 ω laser.
We present a numerical study to investigate the effects of surface waves of falling films on the mass transfer from flowing gas phase into the liquid film. The model employs the volume of fluid method to explicitly track the gas-liquid phase interface and a one-fluid formulation to model the multiphase flow coupled with mass transfer between the two phases. The surface waves are generated by the time-varying injection rate of the falling film. The effects of surface wave frequencies and amplitudes on the overall mass transfer also are investigated for a counter-current gas-liquid flow of oxygen and water. Because of the solubility difference in the two phases, the model can capture the concentration discontinuity across the liquid-gas interface. Good agreement is obtained between the numerical results and experimental data reported in the literature. By systematically varying the frequencies and amplitudes of flow rate for the falling film, the surface waves generated on the film surface enhance mass transfer in general. Here, the model prediction shows a proportional increase in mass transfer for small frequencies of surface waves, but saturation at higher frequencies.
This paper numerically investigated the dehumidification of moist airflow in a converging rectangular duct with electrically enhanced condensation. The aim was to develop a condensation model that predicted water vapor condensation by employing the dielectrophoresis principle. The charged droplets were injected into the computational domain to produce a gradient electric field. The dielectrophoretic interaction between the droplets and vapor molecules of the humid air resulted in local water vapor condensation at the vapor and liquid droplet interface. This phenomenon is described in detail in this paper. A hybrid Eulerian-Lagrangian solver SprayFoam was developed based on OpenFOAM® to simulate condensation in two-phase gas-liquid mixtures. The following developments were made based on the standard compressible multiphase flow solver SprayFoam in OpenFOAM®: (1) Eulerian solver for gas phase (2) multi-component species transport, and (3) Lagrangian solver for gas-droplet two-phase flows and sub-models for liquid droplets. The newly developed numerical model was experimentally validated with data from a series of tests conducted in the authors' laboratory. The results showed that the simulations followed the same trends as the data, and the model predicted the condensation due to the electro-spray injection process in the air stream. The injected water droplets, which are electrically charged to their Rayleigh limits, increased in size while wiping out the humidity from the air. The simulations indicated that the dehumidification was about 1% for 0.5 cubic feet per minute airflow rate. Scaling up to larger flows is a future follow-up work.