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NASA NTRSDate not supplied

A Compact Dual-Band Bowtie Antenna for RF and ISM bands Operation

Traditionally, bowtie antennas have been known to exhibit wide impedance characteristics, omnidirectional radiation patterns, and linear polarization. There is a broad range of applications from medical imaging, archaeological survey, and Ground Penetrating Radar (GPR) to trackers and sensor networks where wideband bowtie antenna designs are required for their operations. Broadening the bandwidth of bowtie antenna requires widening the flare angle of the bowtie arms, which consequently results in a large surface area that may not be suitable for space-constrained applications. Moreover, drawback attributes of the wideband bowtie designs feature inconsistent radiation pattern across the bandwidth and low signal-to-noise (SNR) ratios. As it is known, the SNR would be improved in dual- or multi-band antennas due to their reduced bandwidth. To this end, dual-band/multi-band antennas are preferred over wideband antennas in applications where more than a single frequency of interest is present. Previously, a two-port double-dipole elements was reported, whose arms were orthogonally interleaved to facilitate operation in both the standard WLAN frequency bands (J. M. Steyn and et. al, Progress in Electromagnetic Research, Vol. – 10 pp. 151-161). Even though the antenna is not very compact it does exhibit good cross-polarization, moderate gain in both frequency bands. Another dual-band bowtie antenna which excites two bands using a single transmission line was reported (Wen Chao Zheng and et. al, IEEE Trans. Antennas propag., 2014). The design was compact and did not need multi-port feeding network. In this paper, a dual-band compact bowtie antenna operating at 900 MHz (RF band) and 2.45 GHz (ISM band) using a single excitation port is introduced. It is printed on a 1.54mm thick dielectric substrate (εr = 3.38). The antenna consists of two sets of bowtie arms, a microstrip transmission line to feed the bowtie arms, and a ground plane acting as a reflector to partially reduce the back radiation. One of the bowtie arms of each frequency is printed on the top layer and the other arm, which is mirror imaged, is printed on the bottom layer of the substrate. The length of the bowtie controls the resonance frequency of the antenna and the flare angle controls the bandwidth of the antenna. The microstrip transmission line, connected to a 50 Ω SMA probe, feeds the bowtie antenna. The compact antenna can be used for both RF and ISM band applications. The bowtie arms at the lower frequency band are miniaturized by elongating their electrical lengths. The influence of miniaturizing the bowtie arms and the supporting partial ground plane is observed in the reduced peak gain and degraded front-to-back ratio. These are partly neutralized using four quarter-wave choke-slots in the ground plane with two on each side of the feeding transmission line. The proposed antenna is numerically investigated and finalized by the finite-element based full-wave EM solver, ANSYS HFSS. The miniaturization has reduced the ground plane size by ~45% and the arms size by ~41%. In addition to the size reduction benefits, the antenna shows reasonable peak gain and front-to-back ratio in both the bands. The corresponding results will be presented and discussed at the conference.

Saininad Naik↗
NASA NTRSDate not supplied

Numerical Simulations of A Conceptual MSR-EES Shoulder Recession

The present study demonstrates our in-house material response solver, Icarus's capability to simulate the ablative conditions, including pyrolysis effects due to the interaction between hypersonic boundary layers and the thermal protection system (TPS). A conceptual aeroshell shoulder design, which undergoes mission-relevant flow and material conditions, is selected for the demonstration purpose. LAURA, a structured flow solver, is used to solve flow around the shoulder at several trajectory points of a flight path. The aerothermal dataset obtained from LAURA is used to enforce boundary conditions on the aeroshell wall to simulate ablation processes. The two-layered material system is stacked with HEEET (TPS) and Aluminum (actual material). A set of base parameters, such as the angle of material orientation with respect to the flow direction, convective heat-transfer co-efficient, and aerothermal boundary conditions on the rear end of the HEEET material layer, is selected to conduct a base-case simulation. A small amount of recession was observed, indicating that the design should be fine to go through the selected flow and material conditions. Furthermore, the parameters mentioned above are individually altered and are observed to affect the shoulder design's recession compared to the base case. Verification of our Icarus setup was also carried out using a one-dimensional grid and FIAT, a one-dimensional material-response solver, to build credibility for our results. As the current work is an uncoupled fluid-material-response simulation, a local sharp mesh deformation in the recessed surface near the shoulder corner is observed.

Prakash Shrestha↗
DOE OSTI2020

A parallel strategy for density functional theory computations on accelerated nodes

Using the Löwdin orthonormalization of tall-skinny matrices as a proxy-app for wavefunction-based Density Functional Theory solvers, we investigate a distributed memory parallel strategy focusing on Graphics Processing Unit (GPU)-accelerated nodes as available on some of the top ranked supercomputers at the present time. Here we present numerical results in the strong limit regime, as it is particularly relevant for First-Principles Molecular Dynamics. We also examine how matrix product-based iterative solvers provide a competitive alternative to dense eigensolvers on GPUs, allowing to push the strong scaling limit of these computations to a larger number of distributed tasks. Our strategy, which relies on replicated Gram matrices and efficient collective communications using the NCCL library, leads to a time-to-solution under 0.5 s for the Löwdin orthonormalization of a tall-skinny matrix of 3000 columns on Summit at Oak Ridge Leadership Facility (OLCF). Given the similarity in computational operations between one iteration of a DFT solver and this proxy-app, this shows the possibility of solving accurately the DFT equations well under a minute for 3000 electronic wave functions, and thus perform First-Principles molecular dynamics of physical systems much larger than traditionally solved on CPU systems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Numerical simulation methods of incompressible flows and an application to the Space Shuttle main engine

This paper discusses incompressible Navier-Stokes solution methods with an emphasis on the pseudocompressibility method. A steady-state flow solver based on the pseudocompressibility approach is then described. This flow solver code has been used to analyze the internal flow in the Space Shuttle main engine hot-gas manifold. Salient features associated with this three-dimensional realistic flow simulation are discussed. Numerical solutions relevant to the current engine analysis and the redesign effort are discussed along with experimental results. This example demonstrates the potential of computational fluid dynamics as a design tool for aerospace applications.

Chang, J. L. C.↗
DOE OSTI2017

Implementation of a Pressure Correction Term in the CTF Subchannel Code

CTF is a modernized and improved version of the legacy subchannel code COBRA-TF, being jointly developed and maintained by Oak Ridge National Laboratory (ORNL) and North Carolina State University. The code was adopted by ORNL for use in the Consortium for Advanced Simulation of Light Water Reactors (CASL) in 2012 to help address CASL challenge problems. Since that time, activities related to CTF have included implementing software quality assurance measures, implementing new features and models, performing validation and verification testing, establishing and supporting a CTF user group, and developing the code for use in coupled applications. CTF is applicable to single- and two-phase flows in light water reactor geometries at normal and accident operating conditions. The two-phase flow model consists of the six-equation two-phase flow model augmented by equations for the droplet field, and it also includes appropriate source terms. This work focuses on the numerical stability of the six-equation two-phase flow model and is part of a recent effort to improve CTF capabilities for simulating flows in boiling water reactors (BWRs). The six-equation two-phase flow model is not strongly hyperbolic, meaning that some of its eigenvalues are either not real or not distinct. In a Cauchy sense, and for an initial-value problem, strong hyperbolicity was found to be equivalent to well-posedness, which ensures the uniqueness of the solution in the space-time used. This concept is also of importance when designing high-order numerical methods and also when implementing boundary conditions that rely on real eigenvalues such as Riemann solvers. A tremendous amount of research is available in the literature on how to hyperbolize the six-equation two-phase flow model by adding ad hoc terms to the system of equations. Such terms are often referred to as virtual mass or interfacial pressure correction terms. From a mathematical perspective, this approach adds terms to the phasic momentum equation containing first-order partial derivatives of the unknowns to modify the Jacobian matrix, thus the imaginary part of the eigenvalues. For this work, an interfacial pressure correction (IPC) term on the same model as what was used for the CATHARE system code, is implemented in CTF. This allows for recovery of a two-pressure formulation. In the following, the six-equation two-phase flow model is recalled, along with the IPC term and its influence on the eigenvalues. Then, numerical results and convergence studies are presented for a water-faucet problem at a pressure of 10 bar. Finally, conclusions and future work are addressed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Implementation of a pressure correction term in the CTF sub-channel code

CTF [1] is a modernized and improved version of the legacy subchannel code, COBRA-TF [2], that is being jointly developed and maintained by Oak Ridge National Laboratory (ORNL) and North Carolina State University. The code was adopted by ORNL for use in the Consortium for Advanced Simulation of Light Water Reactors (CASL) in 2012 for aiding in addressing CASL challenge problems. Since that time, activities related to CTF have included implementing software quality assurance measures, implementing new features and models, performing validation and verification testing, establishing and supporting a CTF User Group, and developing the code for use in coupled applications [3, 4, 5]. CTF is applicable to single- and two-phase flows in light water reactor geometries at normal and accident operating conditions. The two-phase flow model consists of the six-equation two-phase flow model [6] augmented by equations for the droplet field and also includes appropriate source terms. This work focuses on the numerical stability of the six-equation two-phase flow model and is part of a recent eort to improve CTF capabilities for simulating flows in boiling nuclear reactors (BWRs). As it is of common knowledge among the thermodynamic community, the six-equation two-phase flow model is not strongly hyperbolic, meaning some of its eigenvalues are either not real or not distinct [7]. In a Cauchy sense and for an initial-value problem, strong hyperbolicity was found to be equivalent to well-posedness which ensures uniqueness of the solution in the space-time used. This concept is also of importance when designing high-order numerical methods and also when implementing boundary conditions that rely on real eigenvalues such as Riemann solvers. A tremendous amount of research is available in the literature on how to hyperbolize the six-equation two-phase flow model by adding ad hoc terms to the system of equations often referred to as virtual mass or interfacial pressure correction term. From a mathematical prospective, the main idea driving this approach is to add terms to the phasic momentum equation containing first-order partial derivatives of the unknowns to modify the Jacobian matrix and thus canceling the imaginary part of the eigenvalues.For this work it was chosen to implement a interfacial pressure correction (IPC) term on the same model as what was done for the CATHARE system code [8], that allows to recover a two-pressure formulation. In the following, the six-equation two-phase flow model is recalled along with the IPC term and its influence on the eigenvalues. Then, numerical results and convergence studies are presented for a water-faucet problem [9] at a pressure of 10 bar. Finally, conclusions and future work are addressed.

Delchini, Marco↗
DOE OSTI2017

A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevant physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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 OSTI2025

Benchmark study of the DTU OWC chamber with both two-way and one-way absorption

This paper reports on a benchmark study based on small-scale (1:50) measurements of a single, oscillating water column chamber mounted sideways in a long flume. The geometry of the OWC chamber is extracted from a barge-like, attenuator-type floating concept “KNSwing” with 40 chambers targeted for deployment in the Danish part of the North Sea. In addition to traditional two-way energy extraction we also consider one-way energy extraction with passive venting and compare chamber response, pressures and total absorbed energy between the two methods. A blind study was established for the numerical modeling, with participants applying several implementations of weakly nonlinear potential flow theory and commercial Navier–Stokes solvers (CFD). Both compressible and incompressible models were used for the air phase. Potential flow calculations predict more energy absorption near the chamber resonance for one-way absorption than for two-way absorption, but the opposite is found from the experimental measurements. This outcome is mainly attributed to energy losses in the experimental passive valve system, but this conclusion must be confirmed by better experimental measurements. Modeling the one-way valve in CFD proved to be very challenging and only one team was able to provide results which were generally closer to the experiments. The study illustrates the challenges associated with both numerical and experimental analysis of OWC chambers. Air compressibility effects were not found to be important at this scale, even with the large volume of additional air used for the one-way case.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Data-driven selection of stiff chemistry ODE solver in operator-splitting schemes

Most computational fluid dynamics simulations of practical combustion applications employ operator-splitting schemes, where chemistry and transport are separated and integrated with distinct numerical methods. The changes in composition due to chemistry are evaluated by solving ordinary differential equations (ODE) in each cell of the computational domain, which typically dominates the computational cost when detailed chemistry is considered. In this work, a data-driven approach for the selection of chemistry ODE solvers in operator-splitting schemes is presented. Neural networks are used to predict the ODE solvers CPU times and errors for a given thermochemical state. This allows the selection of an optimal ODE solver on a cell-by-cell, timestep-by-timestep basis. The models are trained using a wide set of thermochemical states generated through partially-stirred reactors and flames simulations. The methodology is validated by quantifying the prediction errors, the classification accuracy, and the computational speedup. The model predicts the optimal ODE solver for 70 to 95% of the validation cases and decreases the computional cost by a factor of 3 or more. The generalizability of the methodology to different chemical mechanisms and different fuels is assessed and it is shown that the model’s performance is only slightly degraded and its applicability is significantly enhanced if the inputs to the neural networks are restricted to a small set of thermochemical state variables present in most chemical mechanisms. In conclusion, the models are used in an homogeneous reactor case and a multi-dimensional CFD simulation of a diesel spray at high pressure where a speedup of more than 3 is achieved.

42 ENGINEERING↗
NASA NTRS1985

Numerical study of Reynolds stress in compressible flows

A second order closure has been implemented in an implicit Navier-Stokes solver to study the behavior of the Reynolds stresses under the influence of severe pressure gradients. In the boundary layer zone, the strongly sheared character of the mean flow dominates the turbulence generation mechanisms. However, the pressure gradients also play a very important role for these processes, but at different locations within the boundary layer.

Vandromme, D.↗
NASA NTRS1999

Gas Evolution Dynamics in Godunov-Type Schemes and Analysis of Numerical Shock Instability

In this paper we are going to study the gas evolution dynamics of the exact and approximate Riemann solvers, e.g., the Flux Vector Splitting (FVS) and the Flux Difference Splitting (FDS) schemes. Since the FVS scheme and the Kinetic Flux Vector Splitting (KFVS) scheme have the same physical mechanism and similar flux function, based on the analysis of the discretized KFVS scheme the weakness and advantage of the FVS scheme are closely observed. The subtle dissipative mechanism of the Godunov method in the 2D case is also analyzed, and the physical reason for shock instability, i.e., carbuncle phenomena and odd-even decoupling, is presented.

Xu, Kun↗
DOE OSTI2023

A projection-based analytical Jacobian framework for chemical kinetics applications

A major challenge in simulating complex combustion systems with detailed chemical kinetic models is the cost of integrating the chemical source terms, often done using stiff ODE solvers that require frequent Jacobian evaluations. Using analytically derived Jacobian matrices instead of divided-difference-based numerical Jacobian approximations can significantly reduce the associated computational cost. However, ambiguities arise in the formulation of analytical Jacobians because the chemical state of the system, or state vector, can be expressed in multiple ways, involving variables that are typically not independent from one another. Here, in this work, the consequences of those ambiguities on practical calculations are characterized in detail, and a generalized, projection-based framework is proposed as a mitigation strategy. Performances are assessed in a series of test cases involving a variety of configurations and numerical solution approaches. Results show that with proper treatment, commonly used analytical Jacobian formulations can be considered as equivalent for practical purposes, thereby alleviating concerns that the state vector chosen to express the governing equations and corresponding analytical Jacobian may significantly impact the accuracy of the simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

An assessment of the adaptive unstructured tetrahedral grid, Euler Flow Solver Code FELISA

A three-dimensional solution-adaptive Euler flow solver for unstructured tetrahedral meshes is assessed, and the accuracy and efficiency of the method for predicting sonic boom pressure signatures about simple generic models are demonstrated. Comparison of computational and wind tunnel data and enhancement of numerical solutions by means of grid adaptivity are discussed. The mesh generation is based on the advancing front technique. The FELISA code consists of two solvers, the Taylor-Galerkin and the Runge-Kutta-Galerkin schemes, both of which are spacially discretized by the usual Galerkin weighted residual finite-element methods but with different explicit time-marching schemes to steady state. The solution-adaptive grid procedure is based on either remeshing or mesh refinement techniques. An alternative geometry adaptive procedure is also incorporated.

Djomehri, M. Jahed↗
DOE OSTI2019

PVRD-FASP: A Unified Solver for Modeling Carrier and Defect Transport in Photovoltaic Devices

In our paper, we present a simulator for modeling transport of charge carriers and electrically active defect centers in solar cells by treating them on an equal footing, which allows us to address metastability and reliability issues. The exact nonlinear differential equations set solved by our solver is presented. The formulation of such differential equations, namely the continuity equations, drift-diffusion equation, and Poisson equation, for studying charge and defect transport is explained. The parameters needed for forming the differential equations are taken from first principle calculations. The solver is verified with test cases built on PN heterojunctions, Cu diffusion in single crystal CdTe and comparing Silvaco simulations with our numerical results.

14 SOLAR ENERGY↗
DOE OSTI2023

Incorporating Full Elastodynamic Effects and Dipping Fault Geometries in Community Code Verification Exercises for Simulations of Earthquake Sequences and Aseismic Slip (SEAS)

ABSTRACT Numerical modeling of earthquake dynamics and derived insight for seismic hazard relies on credible, reproducible model results. The sequences of earthquakes and aseismic slip (SEAS) initiative has set out to facilitate community code comparisons, and verify and advance the next generation of physics-based earthquake models that reproduce all phases of the seismic cycle. With the goal of advancing SEAS models to robustly incorporate physical and geometrical complexities, here we present code comparison results from two new benchmark problems: BP1-FD considers full elastodynamic effects, and BP3-QD considers dipping fault geometries. Seven and eight modeling groups participated in BP1-FD and BP3-QD, respectively, allowing us to explore these physical ingredients across multiple codes and better understand associated numerical considerations. With new comparison metrics, we find that numerical resolution and computational domain size are critical parameters to obtain matching results. Codes for BP1-FD implement different criteria for switching between quasi-static and dynamic solvers, which require tuning to obtain matching results. In BP3-QD, proper remote boundary conditions consistent with specified rigid body translation are required to obtain matching surface displacements. With these numerical and mathematical issues resolved, we obtain excellent quantitative agreements among codes in earthquake interevent times, event moments, and coseismic slip, with reasonable agreements made in peak slip rates and rupture arrival time. We find that including full inertial effects generates events with larger slip rates and rupture speeds compared to the quasi-dynamic counterpart. For BP3-QD, both dip angle and sense of motion (thrust versus normal faulting) alter ground motion on the hanging and foot walls, and influence event patterns, with some sequences exhibiting similar-size characteristic earthquakes, and others exhibiting different-size events. These findings underscore the importance of considering full elastodynamics and nonvertical dip angles in SEAS models, as both influence short- and long-term earthquake behavior and are relevant to seismic hazard.

Geochemistry & Geophysics↗
NASA NTRS1991

Transonic cascade flow prediction using the Navier-Stokes equations

This paper presents results which summarize the work carried out during the last three years to improve the efficiency and accuracy of numerical predictions in turbomachinery flow calculations. A new kind of nonperiodic c-type grid is presented and a Runge-Kutta scheme with accelerating strategies is used as a flow solver. The code capability is presented by testing four different blades at different exit Mach numbers in transonic regimes. Comparison with experiments shows the very good reliability of the numerical prediction. In particular, the loss coefficient seems to be correctly predicted by using the well-known Baldwin-Lomax turbulence model.

Arnone, A.↗
DOE OSTI2019

Quantum annealing for systems of polynomial equations

Abstract Numerous scientific and engineering applications require numerically solving systems of equations. Classically solving a general set of polynomial equations requires iterative solvers, while linear equations may be solved either by direct matrix inversion or iteratively with judicious preconditioning. However, the convergence of iterative algorithms is highly variable and depends, in part, on the condition number. We present a direct method for solving general systems of polynomial equations based on quantum annealing, and we validate this method using a system of second-order polynomial equations solved on a commercially available quantum annealer. We then demonstrate applications for linear regression, and discuss in more detail the scaling behavior for general systems of linear equations with respect to problem size, condition number, and search precision. Finally, we define an iterative annealing process and demonstrate its efficacy in solving a linear system to a tolerance of 10 −8 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗