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DOE OSTI2025

Game theoretic modeling and optimization of competition and collaboration in dual channel electronic waste supply chains

The rapid growth of electronic waste (e-waste) presents critical challenges for sustainable resource recovery and environmental protection. This study develops a dual-channel closed-loop supply chain (CLSC) model formulated as a hierarchical Stackelberg game, that integrates dynamic pricing and cost-sharing mechanisms to optimize both economic and environmental outcomes. The model explicitly captures strategic interactions between manufacturer-led and third-party recycling channels, accounting for consumer behavior, regulatory incentives, and market competition. Numerical simulations conducted (implemented over a four-iteration horizon using a commercial optimization solver) show that, relative to the baseline equilibrium, manufacturer profit increases from 11.6 thousand USD to 37.9 thousand USD (+226.8%), total recycled volume rises from 7,848 to 7,942 units (+1.2%), and collector profit nearly doubles under cost-sharing, enabling more equitable profit distribution. Furthermore, scenario-based simulations across Sub-Saharan Africa, high-income economies, and emerging Asian industrial countries reveal that infrastructure quality, policy intensity, and labor costs critically shape recycling efficiency and profit allocation. These findings demonstrate that subsidies alone are insufficient to ensure system efficiency. Instead, coordinated strategies that integrate internal incentive alignment with context-sensitive policy support are required. Overall, this study offers a robust framework for designing resilient, efficient, and regionally adaptable e-waste management systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Hybrid-VPIC: An open-source kinetic/fluid hybrid particle-in-cell code

Hybrid-VPIC is an extension of the open-source high-performance particle-in-cell (PIC) code VPIC incorporating hybrid kinetic ion/fluid electron solvers. This paper describes the models that are available in the code and gives an overview of applications of the code to space and laboratory plasma physics problems. Particular choices in how the hybrid solvers were implemented are documented for reference by users. A few solutions for handling numerical complications particular to hybrid codes are also described. Finally, special emphasis is given to the computationally taxing problem of modeling mix in collisional high-energy-density regimes, for which more accurate electron fluid transport coefficients have been implemented for the first time in a hybrid PIC code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Enhanced Planar Antenna Efficiency Through Magnetic Thin-Films

This work proposes to use magnetic material as the substrate of planar antennas to overcome the platform effect caused by the conducting ground plane. The upper bound of the radiation efficiency of an electric-current-driven low-profile antenna is theoretically derived, which is inversely proportional to the Gilbert damping factor of the magnetic material. Meanwhile, the improvement of radiation due to the use of magnetic material is demonstrated by a three-dimensional (3D) multiphysics and multiscale time-domain model. The simulation results match the theoretical derivation, showing 25% radiation efficiency from a planar antenna backed by a FeGaB thin film with 2.56 m thickness. Furthermore, for conductive ferromagnetic materials, it is shown that the eddy current loss can be well suppressed by laminating the thin film into multiple layers. Here, the radiation efficiency of the modeled antenna with a conductive ferromagnetic substrate is improved from 2.2% to 11.8% by dividing the substrate into 10 layers, with a ferromagnetic material fill factor of 93%.

42 ENGINEERING↗

DOE OSTI2024

Modeling Microwave-Enhanced Chemical Vapor Infiltration Process for Preventing Premature Pore Closure

The chemical vapor infiltration (CVI) process involves infiltrating a porous preform with reacting gases that undergo chemical transformation at high temperatures to deposit the ceramic phase within the pores, ultimately leading to a dense composite. The conventional CVI process in composite manufacturing needs to follow an isothermal approach to minimize temperature differences between the external and internal surfaces of the preform, ensuring that reactive gases infiltrate internal pores before external surfaces seal. Here, this study addresses the challenge of premature pore closure in CVI processes through microwave heating. A frequency-domain microwave solver is developed in OpenFOAM to investigate volumetric heating mechanisms within the preform. Through numerical studies, we demonstrate the capability of microwave heating of creating an inside-out temperature inversion. This inversion accelerates reactions proximal to the preform center, effectively mitigating the risk of premature external pore closure and ensuring uniform densification. The results reveal a significant enhancement in temperature inversion when high-permittivity reflectors are incorporated to generate resonant waves. This microwave heating strategy is then coupled with high-fidelity direct numerical simulation (DNS) of reacting flow, enabling the analysis of resulting densification processes. The DNS includes detailed chemistry and realistic diffusion coefficients. The numerical results can be used to estimate the impact of microwave-induced temperature inversion on densification in productions.

42 ENGINEERING↗

DOE OSTI2021

A Parallel Cut-Cell Algorithm for the Free-Boundary Grad--Shafranov Problem

A parallel cut-cell algorithm is described to solve the free-boundary problem of the Grad--Shafranov equation. The algorithm reformulates the free-boundary problem in an irregular bounded domain and its important aspects include a searching algorithm for the magnetic axis and separatrix, a surface integral along the irregular boundary to determine the boundary values, an approach to optimize the coil current based on a targeting plasma shape, Picard iterations with Aitken's acceleration for the resulting nonlinear problem, and a Cartesian grid embedded boundary method to handle the complex geometry. Here the algorithm is implemented in parallel using a standard domain-decomposition approach and a good parallel scaling is observed. Numerical results verify the accuracy and efficiency of the free-boundary Grad--Shafranov solver.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Grain2Mesh: Mesh Generation for Grain-Scale Nonlinear Elasticity Modeling

The nonlinear hysteretic behavior of rocks under cyclic loading is a crucial area of study in geomechanics. The macroscopic response of a variety of materials has been found to be contingent upon the behavior of the micro-scale structure. This project aims to develop a functional and maintainable software package for generating a multi-phase numerical mesh and accompanying simulation files for finite element modeling used in computational mechanics solvers. Meshes generated from images often lack key preprocessing that reduces noise and prevents mesh element distortion that can increase computational cost. By incorporating user feedback throughout, grain2mesh ensures a high-fidelity mesh that can be used to model grain-scale interactions such as shearing, crack propagation, and interfacial material contrast. Scientific applications of this software include material fracturing, stress-strain analysis for natural and engineered materials, and nonlinear meso-scale analysis.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

On the Response of a Herschel–Bulkley Fluid Due to a Moving Plate

In this paper, we study the boundary-layer flow of a Herschel–Bulkley fluid due to a moving plate; this problem has been experimentally investigated by others, where the fluid was assumed to be Carbopol, which has similar properties to cement. The computational fluid dynamics finite volume method from the open-source toolbox/library OpenFOAM is used on structured quad grids to solve the mass and the linear momentum conservation equations using the solver “overInterDyMFoam” customized with non-Newtonian viscosity libraries. The governing equations are solved numerically by using regularization methods in the context of the overset meshing technique. The results indicate that there is a good comparison between the experimental data and the simulations. The boundary layer thicknesses are predicted within the uncertainties of the measurements. The simulations indicate strong sensitivities to the rheological properties of the fluid.

36 MATERIALS SCIENCE↗

DOE OSTI2024

On a Spectral Method for β -particle Bound Excitation Collisions in Kilonovae

The interaction of β-particles with the weakly ionized plasma background is an important mechanism for powering the kilonova (KN) transient signal from neutron star mergers. For this purpose, we present an implementation of the approximate fast-particle collision kernel, described by Inokuti following the seminal formulation of Bethe, in a spectral solver of the Vlasov–Maxwell–Boltzmann equation. In particular, we expand the fast-particle plane-wave atomic excitation kernel into coefficients of the Hermite basis, and derive the relevant discrete spectral system. In this fast-particle limit, the approach permits the direct use of atomic data, including optical oscillator strengths, normally applied to photon–matter interaction. The resulting spectral matrix is implemented in the MASS-APP spectral solver framework, in a way that avoids full matrix storage per spatial zone. We numerically verify aspects of the matrix construction, and present a proof-of-principle 3D simulation of a 2D axisymmetric KN ejecta snapshot. Our preliminary numerical results indicate that a reasonable choice of Hermite basis parameters for β-particles in the KN is a bulk velocity parameter u = 0, a thermal velocity parameter α = 0.5c, and a 9 × 9 × 9 mode velocity basis set (Hermite orders of 0–8 in each dimension). For interior-ejecta sample zones, we estimate that the ratio of thermalization from large-angle (≳2fdg5) bound excitation scattering to total thermalization is ~0.002–0.003.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1988

Control of the boundary layer separation about an airfoil by active surface heating

Application of active control to separated flow on the RC(6)-08 airfoil at high angle of attack by localized surface heating is numerically simulated by integrating the compressible two-dimensional nonlinear Navier-Stokes equations solver. Active control is simulated by local modification of the temperature boundary condition over a narrow strip on the upper surface of the airfoil. Both mean and perturbed profiles are favorably altered when excited with the same natural frequency of the shear layer by moderate surface heating for both laminar and turbulent separation. The shear layer is found to be very sensitive to localized surface heating in the vicinity of the separation point. The excitation field at the surface sufficiently altered both the local as well as the global circulation to cause a significant increase in lift and reduction in drag.

Maestrello, Lucio↗

NASA NTRS1993

Description and use of LSODE, the Livermore Solver for Ordinary Differential Equations

LSODE, the Livermore Solver for Ordinary Differential Equations, is a package of FORTRAN subroutines designed for the numerical solution of the initial value problem for a system of ordinary differential equations. It is particularly well suited for 'stiff' differential systems, for which the backward differentiation formula method of orders 1 to 5 is provided. The code includes the Adams-Moulton method of orders 1 to 12, so it can be used for nonstiff problems as well. In addition, the user can easily switch methods to increase computational efficiency for problems that change character. For both methods a variety of corrector iteration techniques is included in the code. Also, to minimize computational work, both the step size and method order are varied dynamically. This report presents complete descriptions of the code and integration methods, including their implementation. It also provides a detailed guide to the use of the code, as well as an illustrative example problem.

Radhakrishnan, Krishnan↗

NASA NTRS1994

A three-dimensional structured/unstructured hybrid Navier-Stokes method for turbine blade rows

A three-dimensional viscous structured/unstructured hybrid scheme has been developed for numerical computation of high Reynolds number turbomachinery flows. The procedure allows an efficient structured solver to be employed in the densely clustered, high aspect-ratio grid around the viscous regions near solid surfaces, while employing an unstructured solver elsewhere in the flow domain to add flexibility in mesh generation. Test results for an inviscid flow over an external transonic wing and a Navier-Stokes flow for an internal annular cascade are presented.

Tsung, F.-L.↗

NASA NTRS2003

Numerical and Experimental Determination of the Geometric Far Field for Round Jets

To reduce ambiguity in the reporting of far field jet noise, three round jets operating at subsonic conditions have recently been studied at the NASA Glenn Research Center. The goal of the investigation was to determine the location of the geometric far field both numerically and experimentally. The combination of the WIND Reynolds-Averaged Navier-Stokes solver and the MGBK jet noise prediction code was used for the computations, and the experimental data was collected in the Aeroacoustic Propulsion Laboratory. While noise sources are distributed throughout the jet plume, at great distances from the nozzle the noise will appear to be emanating from a point source and the assumption of linear propagation is valid. Closer to the jet, nonlinear propagation may be a problem, along with the known geometric issues. By comparing sound spectra at different distances from the jet, both from computational methods that assume linear propagation, and from experiments, the contributions of geometry and nonlinearity can be separately ascertained and the required measurement distance for valid experiments can be established. It is found that while the shortest arc considered here (approx. 8D) was already in the geometric far field for the high frequency sound (St greater than 2.0), the low frequency noise due to its extended source distribution reached the geometric far field at or about 50D. It is also found that sound spectra at far downstream angles does not strictly scale on Strouhal number, an observation that current modeling does not capture.

Koch, L. Danielle↗

NASA NTRS1998

Aerodynamic Design Optimization on Unstructured Meshes Using the Navier-Stokes Equations

A discrete adjoint method is developed and demonstrated for aerodynamic design optimization on unstructured grids. The governing equations are the three-dimensional Reynolds-averaged Navier-Stokes equations coupled with a one-equation turbulence model. A discussion of the numerical implementation of the flow and adjoint equations is presented. Both compressible and incompressible solvers are differentiated and the accuracy of the sensitivity derivatives is verified by comparing with gradients obtained using finite differences. Several simplifying approximations to the complete linearization of the residual are also presented, and the resulting accuracy of the derivatives is examined. Demonstration optimizations for both compressible and incompressible flows are given.

Nielsen, Eric J.↗

NASA NTRS2009

Navier-Stokes Simulation of a Heavy Lift Slowed-Rotor Compound Helicopter Configuration

Time accurate numerical simulations were performed using the Reynolds-averaged Navier-Stokes (RANS) flow solver OVERFLOW for a heavy lift, slowed-rotor, compound helicopter configuration, tested at the NASA Langley 14- by 22-Foot Subsonic Tunnel. The primary purpose of these simulations is to provide support for the development of a large field of view Particle Imaging Velocimetry (PIV) flow measurement technique supported by the Subsonic Rotary Wing (SRW) project under the NASA Fundamental Aeronautics program. These simulations provide a better understanding of the rotor and body wake flows and helped to define PIV measurement locations as well as requirements for validation of flow solver codes. The large field PIV system can measure the three-dimensional velocity flow field in a 0.914m by 1.83m plane. PIV measurements were performed upstream and downstream of the vertical tail section and are compared to simulation results. The simulations are also used to better understand the tunnel wall and body/rotor support effects by comparing simulations with and without tunnel floor/ceiling walls and supports. Comparisons are also made to the experimental force and moment data for the body and rotor.

Allan, Brian G.↗

NASA NTRS2011

Reynolds-Averaged Navier-Stokes Simulation of a 2D Circulation Control Wind Tunnel Experiment

Numerical simulations are performed using a Reynolds-averaged Navier-Stokes (RANS) flow solver for a circulation control airfoil. 2D and 3D simulation results are compared to a circulation control wind tunnel test conducted at the NASA Langley Basic Aerodynamics Research Tunnel (BART). The RANS simulations are compared to a low blowing case with a jet momentum coefficient, C(sub u), of 0:047 and a higher blowing case of 0.115. Three dimensional simulations of the model and tunnel walls show wall effects on the lift and airfoil surface pressures. These wall effects include a 4% decrease of the midspan sectional lift for the C(sub u) 0.115 blowing condition. Simulations comparing the performance of the Spalart Allmaras (SA) and Shear Stress Transport (SST) turbulence models are also made, showing the SST model compares best to the experimental data. A Rotational/Curvature Correction (RCC) to the turbulence model is also evaluated demonstrating an improvement in the CFD predictions.

Allan, Brian G.↗

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↗