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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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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Combustion Of Moving Droplets And Of Droplets Suspended Within A Convective Environment: Transient Numerical Results

The problem considered is that of a single-component liquid fuel (n-heptane) droplet undergoing evaporation and combustion in a hot, convective, low pressure, zero-gravity environment of infinite expanse. For a moving droplet, the relative velocity (U(sub infinity)) between the droplet and freestream is subject to change due to the influence of the drag force on the droplet. For a suspended droplet, the relative velocity is kept constant. The governing equations for the gas-phase and the liquid-phase consist of the unsteady, axisymmetric equations of mass, momentum, species (gas-phase only) and energy conservation. Interfacial conservation equations are employed to couple the two phases. Variable properties are used in the gas- and liquid-phase. Multicomponent diffusion in the gas-phase is accounted for by solving the Stefan-Maxwell equations for the species diffusion velocities. A one-step overall reaction is used to model the combustion. The governing equations are discretized using the finite volume and SIMPLEC methods. A colocated grid is adopted. Hyperbolic tangent stretching functions are used to concentrate grid points near the fore and aft lines of symmetry and at the droplet surface in both the gas- and liquid-phase. The discretization equations are solved using the ADI method with the TDMA used on each line of the two alternating directions. Iterations are performed within each time-step until convergence is achieved. The grid spacing, size of the computational domain and time-step were tested to ensure that all solutions are independent of these parameters. A detailed discussion of the numerical model is given.

Gogos, George↗
DOE OSTI2026

Longitudinal Phase Space Tomography for the Booster Synchrotron

Efforts in the study of the longitudinal behavior of charged particles in the Fermilab Booster can be catalyzed with an image of the two-dimensional phase space distribution. In the past, tomography had been employed in the reconstruction of the phase space in accelerators such as the Recycler at Fermilab and the Proton Synchrotron Booster at CERN. However, such a capability had yet to realize for the Fermilab Booster synchrotron. In this work, the first successful tomographic phase space reconstruction of a low-energy Booster bunch is presented along with validation metrics. A numerical turn-by-turn model of the longitudinal particle dynamics in the Booster has been implemented, which utilizes a fast, map-based particle transport algorithm. Using a sinogram generated from the Wall Current Monitor signal, the iterative reconstruction algorithm recovers a discretized image of the original phase space distribution at variable resolution. The reconstruction result shows low root-mean-square error and a rapid convergence toward the solution, providing strong evidence of accuracy. Future and ongoing work includes modeling high-energy bunches above transition and using tomography to infer certain machine parameters such as synchronous phase, peak gap voltage, and synchronous energy in addition to the phase space distribution.

Ebeid, Safi [Unlisted; Fermilab]↗
NASA NTRS1985

Comprehensive modeling of a liquid rocket combustion chamber

An analytical model for the simulation of detailed three-phase combustion flows inside a liquid rocket combustion chamber is presented. The three phases involved are: a multispecies gaseous phase, an incompressible liquid phase, and a particulate droplet phase. The gas and liquid phases are continuum described in an Eulerian fashion. A two-phase solution capability for these continuum media is obtained through a marriage of the Implicit Continuous Eulerian (ICE) technique and the fractional Volume of Fluid (VOF) free surface description method. On the other hand, the particulate phase is given a discrete treatment and described in a Lagrangian fashion. All three phases are hence treated rigorously. Semi-empirical physical models are used to describe all interphase coupling terms as well as the chemistry among gaseous components. Sample calculations using the model are given. The results show promising application to truly comprehensive modeling of complex liquid-fueled engine systems.

Liang, P.-Y.↗
DOE OSTI2020

The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy

In this work, we investigate the operation of Frank-Read (FR) sources in a refractory multi-principal element alloy (MPEA). Simulations of discrete dislocation motion in MPEAs is enabled by the development of a phase field dislocation dynamics model that treats the atomic-scale fluctuations in lattice energies across the glide plane, present due to local ordering in the chemical composition within the nominally random MPEA atomic structure. We consider, through simulation, a range of length scales over which ordering occurs, varying from short-range lengths, a few times dislocation core width, to long-range lengths, an order of magnitude longer than the core. Characteristic of this body-centered cubic MPEA, the simulations also include screw/edge character dependence in glide resistance, as informed by atomic scale simulation. The critical stresses to activate the source for the same source size are found to be statistically distributed, as a direct consequence of the underlying variation in lattice energy. Furthermore, analysis of critical state for activating edge and screw FR sources in the MPEA reveals that FR source operation occurs via a two-step mechanism, involving athermal kink-pair formation, unlike the conventional FR source operation in a material with no composition fluctuations. This mechanism lowers the average critical stress required to activate the FR source and causes the statistical dispersion in critical stress to depend on the range of composition ordering. More importantly, it leads to a more severe dependence of source strength on FR source length than predicted by line tension alone.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Numerical simulation of the flow field and fuel sprays in an IC engine

A two-dimensional model for axisymmetric piston-cylinder configurations is developed to study the flow field in two-stroke direct-injection Diesel engines under motored conditions. The model accounts for turbulence by a two-equation model for the turbulence kinetic energy and its rate of dissipation. A discrete droplet model is used to simulate the fuel spray, and the effects of the gas phase turbulence on the droplets is considered. It is shown that a fluctuating velocity can be added to the mean droplet velocity every time step if the step is small enough. Good agreement with experimental data is found for a range of ambient pressures in Diesel engine-type microenvironments. The effects of the intake swirl angle in the spray penetration, vaporization, and mixing in a uniflow-scavenged two-stroke Diesel engine are analyzed. It is found that the swirl increases the gas phase turbulence levels and the rates of vaporization.

Nguyen, H. L.↗
NASA NTRS1988

Improved numerical methods for turbulent viscous flows aerothermal modeling program, phase 2

The details of a study to develop accurate and efficient numerical schemes to predict complex flows are described. In this program, several discretization schemes were evaluated using simple test cases. This assessment led to the selection of three schemes for an in-depth evaluation based on two-dimensional flows. The scheme with the superior overall performance was incorporated in a computer program for three-dimensional flows. To improve the computational efficiency, the selected discretization scheme was combined with a direct solution approach in which the fluid flow equations are solved simultaneously rather than sequentially.

Karki, K. C.↗
NASA NTRS1990

Software engineering and simulation

This paper summarizes the development of several automatic programming systems for discrete event simulation. Emphasis is given on the model development, or problem definition, and the model writing phases of the modeling life cycle.

Zhang, Shou X.↗
NASA NTRS1988

Computation of two-phase shear-layer flow using an Eulerian-Lagrangian analysis

A combined Eulerian-Lagrangian analysis which combines a linearized block implicit Navier-Stokes analysis for the continuous phase with a Lagrangian analysis for the discrete phase has been utilized to simulate a two-phase shear-layer flow in a two-dimensional channel flow configuration. The motion of the particles is tracked in computational coordinate space, resulting in improved computational efficiency, and interphase coupling terms for the Eulerian analysis are computed from the instantaneous distribution of the particles rather than the trajectory information. The use of the implicit Navier-Stokes analysis for the continuous phase has made it possible to efficiently use a highly stretched mesh. A low Reynolds number form of the k-epsilon turbulence model was used with near-wall resolution, thus eliminating the need to use the 'wall-function' approach. The streamwise velocity profiles for the continuous and the discrete phases have been compared with experimental data for two test cases.

Sabnis, Jayant S.↗
DOE OSTI2025

Thermo-hydraulic steam pipe models for district heating simulations: Simplifications to balance accuracy and simulation speed

Steam piping networks are essential for optimizing performance in industrial processes and district heating systems. However, dynamic models that balance thermo-hydraulic accuracy with computational efficiency remain limited. In response, this paper presents a new discretized steam pipe model based on the plug flow approach, capturing key thermo-hydraulic behaviors while simplifying steam phase change processes. Implemented in Modelica, the model accurately calculates temperature and pressure distributions along steam pipelines. To improve computational efficiency for district-scale simulations, five model simplifications are introduced: lumped thermo-hydraulic functions, empirical correlations, fluid state approximations, steady-state dynamics and inclusion of flow derivatives. These simplified models achieve 85%-98% accuracy in predicting pressure drop and condensation losses, including dynamic condensate behavior during pipe warm-up—a factor often overlooked in existing models. The models support diverse network configurations, scaling effectively to systems with multiple distribution pipes and connected building loads. Discrete models provide detailed insights but exhibit a cubic increase in simulation time as the network scales by N connected building O(N 2.42 ). In contrast, lumped models simulate 10–28 times faster than discrete, offering quadratic scaling of simulation time O(N 1.73 ). However, they still require 6 times more computation time than a lossless network, highlighting the inherent computational challenges of modeling compressible fluid flow. In conclusion, the steady-state lumped variant, with its near-linear scalability in computational time O(N 1.01 ), emerges as an efficient solution for preliminary design evaluations and extensive parametric studies.

15 GEOTHERMAL ENERGY↗
NASA NTRS1979

Direct and inverse problems in radiation of sound from discrete random sources on two coaxial rings

An analytical model consisting of two ring sources of sound is developed to study the direct radiation in terms of correlation, coherence, and phase and also to aid in solving the inverse-radiation problem of determining the noise source in terms of farfield measurements. The rings consist of discrete sources which are either monopoles or quadrupoles with Gaussian autocorrelations. Only adjacent sources, both within and between the rings, are correlated. Results show that from the farfield information one can determine when the sources are compact or noncompact with respect to the acoustic wavelength and distinguish between the types of sources. In addition, from the inverse-radiation approach one can recover the center of mass, the location and separation distance of the ring, and the respective diameters.

Maestrello, L.↗
DOE OSTI2026

Realization of two-dimensional discrete time crystals with anisotropic Heisenberg coupling

A discrete time crystal (DTC) is an out-of-equilibrium phase of matter that spontaneously breaks discrete time-translation symmetry. Previous studies have been limited to a set of models with Ising-like couplings - and mostly only in one dimension - thus precluding our understanding of the existence (or not) of DTCs in models with more realistic interactions. In this work, by combining the latest generation of IBM quantum processors with state-of-the-art tensor network methods, we demonstrate the existence of a DTC in a two-dimensional system governed by anisotropic Heisenberg interactions. We uncover a rich phase diagram encompassing spin-glass, ergodic, and time-crystalline phases, and identify the interplay of initialization, interaction anisotropy, and driving protocols in stabilizing the DTC phase. By extending the study of Floquet matter beyond simplified models, we lay the groundwork for exploring how driven systems bridge the gap between quantum coherence and emergent non-equilibrium thermodynamics.

Phase transitions and critical phenomena↗
DOE OSTI2023

Interaction of extended dislocations with nanovoid clusters

Voids of nanoscale dimensions in irradiated metals can act as obstacles to dislocation motion and cause strengthening. In this work, nanovoid strengthening and the influences of void size, void spacing and material properties, such as stacking fault energies, on dislocation bypass mechanisms are investigated using Phase Field Dislocation Dynamics, a three-dimensional mesoscale model that predicts the minimum energy pathway taken by discrete dislocations. A broad range of face centered cubic metals (copper, nickel, silver, rhodium, and platinum) and nanovoid sizes and spacings are treated, altogether spanning void size–to–dislocation stacking fault width ratios from less than unity to ten. Material γ-surfaces, calculated from ab initio methods, are input directly into the formulation. The analysis reveals that the critical bypass stress scales linearly with the linear void fraction, effective isotropic shear modulus, and ratio of the intrinsic to unstable stacking fault energies. With only a few exceptions, the critical stress is controlled by the stress required for the leading partial to impinge the voids (to move within range of the attractive image stress field of the void). When the void diameter is nearly an order of magnitude greater than the stacking fault width, the mechanism determining critical strength shifts to the stress for the dislocation to breakaway after partially cutting the void. Furthermore, this situation corresponds to that treated by line tension models and is realized here for Pt, with a sub-nanometer stacking fault width.

36 MATERIALS SCIENCE↗
DOE OSTI2020

An error-controlled adaptive time-stepping method for particle advancement in coupled CFD-DEM simulations

Coupled Computational-Fluid-Dynamics (CFD) and Discrete-Element-Method (DEM) models provide an accurate description of multiphase physical systems where a solid granular particle phase exists in an underlying gaseous continuous medium. The time integration of the granular phase in these simulations is typically handled using an explicit scheme with a constant time-step among all particles that is invariant in time to resolve inter-particle collisions. A locally third-order accurate adaptive time integration technique for particles that employs an embedded locally second-order scheme for error determination is presented in this work. The particle time-step size is dynamically adapted based on solution error, thus leading to significant savings in computational time. The efficacy of our scheme is quantified using four test cases of varying complexity (binary collision, homogeneous cooling system, fluidized bed and hopper discharge). The adaptive time-stepping method exhibits improved performance (~ 2–3 times in most of the cases studied) compared to three commonly used non-adaptive time-step methods (first-order Euler-explicit, second-order Adams-Bashforth and third-order Runge-Kutta schemes), while maintaining the same level of accuracy and parallel scalability.

42 ENGINEERING↗
DOE OSTI2023

Investigation of Best-Practices and Computationally Inexpensive Radiative Exchange Models for Discrete Element Method Modeling of Aluminosilicate Particles in Concentrating Solar Power Environments

Chemically inert, aluminosilicate based particles have been investigated as both a thermal transport and sensible energy storage medium for concentrating solar power facilities. These particles will experience a wide range of operating temperatures (300-1000 K) and handling conditions (dense to dilute falling particle curtains, dense granular flows, or dense structures), requiring specially-designed and optimized infrastructures. The relative influence of collisional and frictional interactions between particles varies based on temperature-dependent particulate properties and greatly impacts the bulk, granular flow behavior. These underlying physics are captured using discrete element method modeling tools. However, this modeling method is computationally expensive as each particle position and interaction is tracked during the simulation. These modeling methods are further complicated by introducing temperature-dependent particle properties, high-temperature radiative exchange, and directional irradiation sources experienced by granular flows in concentrating solar power environments. In this study, coupled experimental and numerical slump testing of aluminosilicate particles was performed and computationally efficient radiative exchange models were evaluated to establish best-practices for discrete element method models for concentrating solar power environments. The three particle types investigated included Carbobead HSP 30 /60, Carbobead CP 30/60, and Granusil 4030. Existing modeling limitations and computationally-efficient multi-modal heat transfer models were evaluated using Aspherix®, a commercial discrete element method software. High-temperature (< 1073 K) slump testing of aluminosilicate particles was performed to investigate the deviation between experimentally-observed and numerically-predicted angles of repose introduced by computation-time reduction practices including the relaxation of the particle elastic modulus and coarse-graining. Coarse-graining is used to use a single modeled particle that is representative of a collection of smaller particles, decreasing the computational cost at the expense of geometric accuracy. Additionally, relaxation of the elastic modulus is used to reduce computational time at the expense of an increased, modeled particle overlap. Prior studies have determined that aluminosilicate particles retain a high elastic modulus at high temperatures (< 1073 K), requiring small simulation timesteps to ensure resolved contact forces resemble appropriate solid mechanics. A parametric study was performed to evaluate the influence of computation time improvements on the deviation between experimental and modeled angle of repose across high temperatures < 1073 K. Additionally, numerical case studies were performed on candidate particle systems at varying porosities and temperatures. These studies were performed to investigate the influence of computationally-efficient radiative-exchange modeling methods coupled to Aspherix® on modeled accuracy and computation time. The recently-developed distance-based approximation was evaluated in estimating radiative exchange between particles and participating surfaces located in close proximity. The distance based approximation was developed to use tabulated estimates of the radiative distribution factor between individual particles and surfaces in close proximity (< 40 particle radii). These methods were expanded to the aluminosilicate particles of interest, including the influence of particle size distributions. To capture radiative exchange between particles and surfaces not in close proximity (> 40 particle radii) and to capture the absorption of directional irradiation from concentrating solar resources, a volumetrically-averaged radiative distribution factor was calculated between the modeled granular flow and surfaces using Monte Carlo ray-tracing for participating media. Volume-averaged absorption and scattering coefficients were predicted using a volumetric discretization of the modeled domain with monodisperse approximations based on geometric optics and experimentally-determined scattering phase functions for aluminosilicate particles.

14 SOLAR ENERGY↗
DOE OSTI2022

A Robust Numerical Treatment of Solid-Phase Diffusion in Pseudo Two-Dimensional Lithium-Ion Battery Models

Solid-phase diffusion in active materials of lithium-ion batteries significantly affects charging and safety-related behavior of lithium-ion batteries. Therefore, it is essential to develop an efficient and robust numerical algorithm for solving solid-phase diffusion equations in physics-based battery models. In this work, we discuss the origins of numerical instabilities that can occur when solving the solid-phase diffusion equations using iterative methods. Then, in order to resolve such issues, we propose a simple numerical treatment to the surface flux term of discretized solid-phase diffusion equations. To demonstrate its numerical robustness, the proposed method is implemented into a pseudo two-dimensional (P2D) physics-based battery model and simulations are conducted at wide ranges of operating conditions. Even with extremely poor initial guesses for the Li+ concentrations of the active materials, computations using the proposed method do not diverge and the their computational speeds are comparable to those with conventional initial guesses. Comprehensive tests of the proposed method are also performed with a dynamic current profile based on US06 driving profile and a multi-stage charging profile with very high initial C-rate (12C).

battery modeling↗
DOE OSTI2021

Modelling the complex evaporated gas flow and its impact on particle spattering during laser powder bed fusion

The additive manufacturing (AM) of metals is becoming an increasingly important production process with the potential to replace traditional techniques such as casting. Laser Powder Bed Fusion (LPBF) is used in many applications to print metal parts from powder. The metal powder is heated locally with sufficient laser radiation that the liquid melt easily reaches its boiling temperature, which leads to a metallic vapour jet that can entrain both powder bed particles and molten droplets. The small size of laser-matter interaction site makes a detailed experimental analysis of the process challenging. Synchrotron X-ray imaging experiments are one of the few methods which can capture the dynamic melting and solidification processes. Comparing such experiments with computer simulations of the process is an important approach in order to better understand the manufacturing process and to analyse the influence of process parameters on the evaporated gas jet and the subsequent impact on particle ejection, leading to potentially reduced AM component quality. The melting and solidification of the metal powder is simulated using an Eulerian multiphase approach based on a control volume discretization of powder bed and substrate and a volume of liquid separation from melt and gas phase. The gas phase modelled as an ideal gas reaches velocities up to 100 m/s. Lagrangian particle tracking in the simulation demonstrates that the velocity fields calculated by the Eulerian multi-phase approach in combination with a standard drag-force model lead to particle accelerations in good agreement with those measured experimentally. In order to avoid numerical laborious Lagrangian calculations, a direct method to compare an Eulerian multiphase simulation with synchrotron X-ray experiments was introduced and validated. This approach is used to analyse the influence of process parameters including laser power and laser speed on the maximal acceleration of particles from the melt pool area. While the particle acceleration increases linearly with line energy in the conduction mode, a linear decrease of the acceleration with increasing line energy can be found in the transition mode before the accel-eration increases again with line energy in the keyhole mode.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Recent Developments at the Raft River Geothermal Field

The Raft River geothermal field, located in Cassia County in southwestern Idaho, is the site of a Department of Energy Enhanced Geothermal System project. U.S. Geothermal, Inc. currently produces about 11 MWe from Precambrian metamorphic rocks. These lie beneath ~5,000 ft of Quaternary and Tertiary volcaniclastic and volcanic deposits. Maximum temperatures range from 271°F to 300°F. Well RRG-9 ST1, the well targeted for stimulation is located approximately 1 mile south of the main bore field. The open hole section of the well, from 5,551 to 5,900 ft MD, consists of Precambrian Elba Quartzite, the stimulation target, granite and minor diabase. Prior to setting the casing acoustic, gamma ray, and density logs were run. After completing the well, a step rate/step down test was conducted. The maximum injection rate achieved was 18 bpm at a wellhead pressure of 1,150 psig. A borehole televiewer run in the open hole section showed evidence of more than eighty fractures. The majority of these fractures trend from N20⁰W to N20°E and dip from 40° to 60°W. Permeable fractures were encountered in the Elba Quartzite at 5,640-5,660 ft MD. Analysis of the injection test indicates that the minimum in-situ principal stress in this zone is 3,050-3,200 psi, corresponding to a fracture gradient of 0.59-0.62 psi/ft. A discrete fracture network model was developed using measured and inferred fracture orientations, distributions and dimensions. A three-phase stimulation program is proposed for RRG-9 ST-1. During the first two stages, water at 140°F, and later 40°F, will be injected to pre-condition and thermally fracture the reservoir. Here, the third stage will consist of a high rate, large volume conventional hydraulic stimulation.

Bradford, Jacob↗
DOE OSTI2021

TwInflation

The general structure of Hybrid Inflation remains a very well-motivated mechanism for lower-scale cosmic inflation in the face of improving constraints on the tensor-to-scalar ratio. However, as originally modeled, the “waterfall” field in this mechanism gives rise to a hierarchy problem (η–problem) for the inflaton after demanding standard effective field theory (EFT) control. We modify the hybrid mechanism and incorporate a discrete “twin” symmetry, thereby yielding a viable, natural and EFT-controlled model of non-supersymmetric low-scale inflation, “Twinflation”. Analogously to Twin Higgs models, the discrete exchange-symmetry with a “twin” sector reduces quadratic sensitivity in the inflationary potential to ultra-violet physics, at the root of the hierarchy problem. The observed phase of inflation takes place on a hilltop-like potential but without fine-tuning of the initial inflaton position in field-space. We also show that all parameters of the model can take natural values, below any associated EFT-cutoff mass scales and field values, thus ensuring straightforward theoretical control. We discuss the basic phenomenological considerations and constraints, as well as possible future directions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗