Results for “CYLINDRICAL CONFIGURATION” — Page 3

DOE OSTI2024

Effects of Trigger Method on Fire Propagation during the Thermal Runaway Process in Li-ion Batteries

Lithium-ion batteries are prone to fire hazards due to the possibility of thermal runaway propagation. During battery product development and subsequent safety tests for design validation and safety certification, the thermal runaway onset is triggered by various test methods such as nail penetration, thermal ramp, or external short circuit. This failure initiation method affects the amount of heat contributions and the composition of gas generations. This study compares two such trigger methods, external heating and using a thermally-activated internal short circuit device (ISCD). The effects of the trigger method on total heat generation are experimentally investigated within 18650 cylindrical cells at single cell level as well as at multiple cell configuration level. The severity of failure was observed to be worse for cells with ISCDs at single cell level, whereas quite the opposite results were observed at multiple cell configuration level. A preliminary numerical analysis was performed to better understand the battery safety performance with respect to thermal runaway trigger methods and heat transfer conditions.

25 ENERGY STORAGE↗

DOE OSTI2026

Determining Optimal Magnetometer Configuration on MAGIS-100

Long-baseline atom interferometers such as the Matter-wave Atomic Gradiometer Interferometric Sensor (MAGIS-100) require stringent control and continuous characterization of background magnetic fields and spatial gradients to prevent systemic phase shifts that mimic ultralight dark matter or gravitational wave signatures. Because direct sensor placement within the ultra-high vacuum beam pipe is infeasible, in-situ magnetic field monitoring relies on external sensor arrays situated in the surrounding annular region. This work demonstrates a field reconstruction framework for a 5.3-meter MAGIS-100 modular section using finite-element Opera simulations. Transverse magnetic fields are expanded using a cylindrical multipole framework as informed by Fermilab’s Muon g-2 experiment, with magnetometer array configurations optimized via Fisher information matrix D-optimality. Inverting external sensor readings through a Gauss-Newton scheme recovers interior tube fields across distinct axial positions. In the discontinuity-averse uniform region (slice pair P4), the model achieves sub-noise-floor performance with a cross-validated root-mean-square error (RMSE) of $6.7227 \times 10^{-4}\text{ A/m}$ ($0.845\times$ sensor noise floor) and an interior field coefficient of variation of $1.71\%$. An elbow criterion in the Fisher bounds establishes $n_{\text{max}} = 2$ as the optimal multipole truncation order to prevent noise amplification from over-parameterization, with $n_{\text{max}} = 3$ (sextupole) order chosen for analysis to demonstrate further complexity and cross-pair comparison. Furthermore, analytical differentiation of the fitted multipole coefficients yields dense spatial maps of the transverse Jacobian gradient matrix $\nabla \mathbf{H}$ along with propagated $1\sigma$ uncertainty bounds across the beam region ($r \le 2.75\text{ in}$). This operational framework confirms that external magnetometer arrays can reliably monitor magnetic field uniformity and spatial gradients along the 100-meter flight path given appropriate sampling for any complexity order.

Appleby, Darwin [William Rainey Harper Coll.] (ORC↗

DOE OSTI2026

Determining Optimal Magnetometer Configuration on MAGIS-100

Long-baseline atom interferometers such as the Matter-wave Atomic Gradiometer Interferometric Sensor (MAGIS-100) require stringent control and continuous characterization of background magnetic fields and spatial gradients to prevent systemic phase shifts that mimic ultralight dark matter or gravitational wave signatures. Because direct sensor placement within the ultra-high vacuum beam pipe is infeasible, in-situ magnetic field monitoring relies on external sensor arrays situated in the surrounding annular region. This work demonstrates a field reconstruction framework for a 5.3-meter MAGIS-100 modular section using finite-element Opera simulations. Transverse magnetic fields are expanded using a cylindrical multipole framework as informed by Fermilab’s Muon g-2 experiment, with magnetometer array configurations optimized via Fisher information matrix D-optimality. Inverting external sensor readings through a Gauss-Newton scheme recovers interior tube fields across distinct axial positions. In the discontinuity-averse uniform region (slice pair P4), the model achieves sub-noise-floor performance with a cross-validated root-mean-square error (RMSE) of $6.7227 \times 10^{-4}\text{ A/m}$ ($0.845\times$ sensor noise floor) and an interior field coefficient of variation of $1.71\%$. An elbow criterion in the Fisher bounds establishes $n_{\text{max}} = 2$ as the optimal multipole truncation order to prevent noise amplification from over-parameterization, with $n_{\text{max}} = 3$ (sextupole) order chosen for analysis to demonstrate further complexity and cross-pair comparison. Furthermore, analytical differentiation of the fitted multipole coefficients yields dense spatial maps of the transverse Jacobian gradient matrix $\nabla \mathbf{H}$ along with propagated $1\sigma$ uncertainty bounds across the beam region ($r \le 2.75\text{ in}$). This operational framework confirms that external magnetometer arrays can reliably monitor magnetic field uniformity and spatial gradients along the 100-meter flight path given appropriate sampling for any complexity order.

Appleby, Darwin [William Rainey Harper Coll.] (ORC↗

DOE OSTI2020

IMAGINE: The neutron protein crystallography beamline at the high flux isotope reactor

IMAGINE is a high intensity, quasi-Laue neutron crystallography beamline developed at the 85 MW High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). This state-of-the-art facility for neutron-diffraction enables neutron protein structures to be determined at or near atomic resolutions from crystals with volumes of < 1 mm 3 and unit cell edges of < 150 Å. The beamline features include elliptical focusing mirrors that deliver neutrons into a 2.0 × 3.2 mm 2 focal spot at the sample position, and variable short and long wavelength cutoff optics that provide automated exchange between multiple wavelength configurations. The beamline is equipped with a single-axis goniometer, neutron-sensitive cylindrical image plate detector and room temperature and cryogenic sample environments. This article describes the beamline components, the diffractometer and the data collection and data analysis protocols that are used, and outlines the protein deuteration, crystallization and conventional crystallography capabilities that are available to users at ORNL's neutron facilities. We also present examples of the scientific questions being addressed at this beamline and highlight important findings in enzyme chemistry that have been made possible by IMAGINE.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Design and Engineering of LUPIN: A Test-Bed Radio-Frequency Ion Source for Enhanced Neutral Beam Injection on DIII-D

The Large, Uniform Plasma for Ionizing Neutrals (LUPIN) is a radio-frequency (RF) inductively coupled plasma (ICP) chamber for demonstrating plasma performance of an RF ICP positive ion source upgrade for the DIII-D neutral beam injection (NBI) system. LUPIN will be used to investigate ion source physics, including neutral gas dynamics, plasma density uniformity, interactions with Faraday shields, and power coupling to novel RF antenna designs. LUPIN has an RF generator capable of delivering 20 kW of power at 2 MHz, which is coupled into a cylindrical quartz vessel measuring 20 cm in length and 10 cm in radius. This configuration matches the power density requirements for a full-scale ion source. Target hydrogen and deuterium plasma densities exceeding 10 18 m -3 would relate to extracted ion current densities of 2100 A/m 2 for 10s. Vacuum conductance and gas flow calculations predict a maximum achievable neutral gas flow rate of 1675 Pa ⋅ L/s at 5 Pa of He, which mimics the gas flow of the DIII-D NBI system. Designs have been developed for an internal Faraday shield to mitigate heat flux and ion sputtering on the dielectric vessel. Thermomechanical finite element simulations demonstrated the Faraday shield design to be capable of withstanding anticipated heat loads from worst-case operation scenarios. Finally, results of upcoming experimental investigations on LUPIN will guide the design of a full-scale prototype for DIII-D integration.

Faraday shield↗

DOE OSTI2025

Azimuthal and axial structures in 3D particle-in-cell simulation of Penning discharge

We report the results of a 3D particle-in-cell simulation of cylindrical Penning discharge with the axial magnetic field in the so-called reflex configuration, where the cathode and anti-cathode are biased to the same negative potential. The discharge is supported by thermal electron emission from the cathode. Electron and ion collisions, including ionization, are fully accounted for. The emphasis is on a specific regime in which the plasma potential at the center of the discharge is positive with respect to the chamber walls, serving as an anode. Spatial and temporal scales of the observed azimuthal and axial fluctuations and structures are characterized. It is suggested that azimuthal structures are caused by the dissipative gradient-drift instability. We find that the axial fluctuations related to the plasma-beam instabilities are weakly correlated with the azimuthal perturbations of the density, so that the azimuthal modes rotate as a whole and do not show any axial shear. The behavior of the electric potential is more involved, demonstrating intermittent standing wave and propagating structures in the axial direction that modulate the electron transport, producing the standing wave pattern (along the z-direction) in the radial electron flux.

3D PIC simulation of discharge↗

DOE OSTI2024

Design and Engineering of LUPIN: A Test-Bed Radiofrequency Ion Source for Enhanced Neutral Beam Injection on DIII-D

The Large, Uniform Plasma for Ionizing Neutrals (LUPIN) is an RF inductively coupled plasma (ICP) chamber for demonstrating plasma performance of an RF ICP positive ion source upgrade for the DIII-D Neutral Beam Injection (NBI) system. LUPIN will be used to investigate ion source physics, including neutral gas dynamics, plasma density uniformity, interactions with Faraday shields, and power coupling to novel RF antenna designs. LUPIN has an RF generator capable of delivering 20 kW of power at 2 MHz, which is coupled into a cylindrical quartz vessel measuring 20 cm in length and 10 cm in radius. This configuration matches the power density requirements for a full-scale ion source. Target hydrogen and deuterium plasma densities exceeding 10 18 m -3 would relate to extracted ion current densities of 2100 A/m 2 for 10 s. Vacuum conductance and gas flow calculations predict a maximum achievable neutral gas flow rate of 1675 Pa·L/s at 5 Pa of He, which mimics the gas flow of the DIII-D NBI system. Designs have been developed for an internal Faraday shield to mitigate heat flux and ion sputtering on the dielectric vessel. Thermomechanical finite element simulations demonstrated the Faraday shield design to be capable of withstanding anticipated heat loads from worst-case operation scenarios. Results of upcoming experimental investigations on LUPIN will guide the design of a full-scale prototype for DIII-D integration.

Faraday shield↗

DOE OSTI2026

In-Situ Magnetic Field Reconstruction in the MAGIS-100 Experiment

Long-baseline atom interferometers such as the Matter-wave Atomic Gradiometer Interferometric Sensor (MAGIS-100) require stringent control and continuous characterization of background magnetic fields and spatial gradients to prevent systemic phase shifts that mimic ultralight dark matter or gravitational wave signatures. Because direct sensor placement within the ultra-high vacuum beam pipe is infeasible, in-situ magnetic field monitoring relies on external sensor arrays situated in the surrounding annular region. This work demonstrates a field reconstruction framework for a 5.3-meter MAGIS-100 modular section using finite-element Opera simulations. Transverse magnetic fields are expanded using a cylindrical multipole framework as informed by Fermilab’s Muon g-2 experiment, with magnetometer array configurations optimized via Fisher information matrix D-optimality. Inverting external sensor readings through a Gauss-Newton scheme recovers interior tube fields across distinct axial positions. In the discontinuity-averse uniform region (slice pair P4), the model achieves sub-noise-floor performance with a cross-validated root-mean-square error (RMSE) of $6.7227 \times 10^{-4}\text{ A/m}$ ($0.845\times$ sensor noise floor) and an interior field coefficient of variation of $1.71\%$. An elbow criterion in the Fisher bounds establishes $n_{\text{max}} = 2$ as the optimal multipole truncation order to prevent noise amplification from over-parameterization, with $n_{\text{max}} = 3$ (sextupole) order chosen for analysis to demonstrate further complexity and cross-pair comparison. Furthermore, analytical differentiation of the fitted multipole coefficients yields dense spatial maps of the transverse Jacobian gradient matrix $\nabla \mathbf{H}$ along with propagated $1\sigma$ uncertainty bounds across the beam region ($r \le 2.75\text{ in}$). This operational framework confirms that external magnetometer arrays can reliably monitor magnetic field uniformity and spatial gradients along the 100-meter flight path given appropriate sampling for any complexity order.

Appleby, Darwin [William Rainey Harper Coll.; Ferm↗

DOE OSTI2025

Graphene Oxide Nanoribbons for High Early-Strength Cement Concrete

Longitudinal oxidative unzipping of the outer walls of multiwalled carbon nanotubes (MWCNTs) yields graphene oxide nanoribbons (GONRs), which exhibit greater open surface area and functional edge content than MWCNTs. This paper presents a study of the nano-amendment of Portland cement concrete with GONRs in concentrations between 0.05% (in weight of cement, wt%) and 0.0005 wt%, thus up to two orders of magnitude lower than that reported as lower-bound in the archival literature. The dispersibility in aqueous solution as a function of GONR concentration and oxygen weight content (O%) was assessed through dynamic light scattering (DLS) and zeta potential analysis. The results indicated that less effective suspensions were obtained for 0.05 wt% of GONRs and 22.7 O%. Therefore, GONR water suspensions with 30-40% O% were used to manufacture 50 mm × 100 mm cylindrical concrete specimens. After 7 days of curing, results from uniaxial compression tests using four specimens per configuration (MWCNT concentration and O%) showed that the incorporation of GONRs resulted in an average increase in compressive strength up to 45%. Consistent with the DLS and compression test results, SEM micrographs showed well-dispersed GONRs together with accelerated and preferential formation of calcium silicate hydrates (C-S-H) for all GONR concentrations. The results indicate, for the first time, that the incorporation of very small concentrations (as low as 0.0005 wt%) of well-dispersed GONR amendments can significantly enhance the early-age concrete strength. However, such enhancement became insignificant after 28 days of curing.

cement↗

DOE OSTI2022

Material effects on dynamics in triple-nozzle gas-puff Z pinches

Here, the gas-puff Z pinch has a long history with myriad applications as an efficient neutron or x-ray source. Its simplicity as a load configuration makes it suitable for studying fundamental plasma physics phenomena such as instabilities and energy transport. For example, the implosion of cylindrical shells onto a fusion fuel are inherently susceptible to instability growth on their external surfaces; if such instabilities are unmitigated, then the consequences in terms of degraded performance can be substantial. Similarly, mitigating heat transport from a hot fuel to its colder surrounding container can make fusion conditions more easily achievable. Here we have conducted a systematic study of triple-nozzle (outer liner, inner liner, fuel) gas puffs using two-dimensional (2D) magnetohydrodynamic simulations to investigate the effect of load material on the relevant dynamics. Analogous to past studies on spherical blast waves and converging shock waves, a trend emerges linking increased radiative cooling, lower adiabatic index, and increased magneto-Rayleigh-Taylor instability growth. Notably, our results suggest that, for the present configuration, Ar radiates less than both Ne and Kr during the early stages of the implosion while mass is being swept up and perturbations begin to seed instability growth. Consequently, pinches with Ar on the outer surface exhibit more stable 2D behavior. Here we also present a parameter scan of thermonuclear neutron yield, Y, as a function of peak current, I pk and dopant concentration with Ne or Ar, depending on the inner liner material. Above 6 MA, our results suggest Y ∝ $I$$^{5}_{pk}$ and even substantial mixing (10% by volume) of Ne into the fuel does not drastically reduce yield, suggesting an Ar/Ne/fuel configuration may reliably achieve DD thermonuclear yields of 10 13 – 10 14 /cm in the 10–20 MA range.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Effects of zero and reversed magnetic shear on resistive wall modes in a straight limiter tokamak with zero beta

Advanced tokamak scenarios often feature equilibriums with zero and reversed magnetic shear. To isolate and investigate their impacts on the resistive wall mode (RWM) instability analytically, we construct a series of cylindrical limiter equilibriums with different magnetic shear in the core and toward plasma edge, as a prototype of the configurations in advanced tokamak scenarios. Equilibriums with zero β are considered so that the analysis focuses on the current-driven RWMs. Analytical solutions for the n=1 resistive wall mode, derived from the reduced ideal magnetohydrodynamics (MHD) equations, consistently demonstrate key insights for both the core and the edge: the growth rate of RWMs is inversely proportional to the averaged magnetic shear when the safety factor at the edge (qa) is held constant. Specifically, an increase in positive averaged magnetic shear results in a decreased growth rate, whereas an increase in negative averaged magnetic shear leads to an increased growth rate. Furthermore, the influence of nqa on the mode's stability significantly surpasses the effects of magnetic shear changes previously discussed. These analytical calculation results provide a verification of NIMROD simulations.

Wan, Sui (ORCID:0009000464121677)↗

DOE OSTI2025

Structural uncertainty assessment for fire-engulfed objects in crosswind: Establishing credibility for a multiphysics wall-modeled large-eddy simulation paradigm

A structural uncertainty validation study for a large-scale, fire-engulfed, elevated object subjected to crosswind is presented to establish the credibility of a high-fidelity, low-Mach, turbulent reacting flow wall-modeled large-eddy simulation (WMLES) approach that includes multiphysics coupling to participating media radiation and conjugate heat transfer. To establish that WMLES can accurately predict surface quantities including drag and pressure coefficient in the low-Mach crosswind regime, a foundational elevated isothermal cylinder validation case is presented at a similar gap-to-diameter ratio of 0.25, spanning the subcritical to supercritical drag regime (Re 𝐷 = 1.1 × 10 5 and 4.3 × 10 5 , respectively). Here, this study exercised both static and dynamic coefficient LES (Smagorinsky and 𝑘 sgs ) with both local and exchange-based velocity sampling. Results showcase that the drag crisis (or the sudden drop in drag coefficient at increased Re 𝐷 ) is well captured when using an exchange-based dynamic coefficient WMLES methodology, while noting lack of mesh convergence and overall drag and pressure coefficient predictively when using a static coefficient, local velocity sampling WMLES. For the 𝒪⁡(10) m JP-8 liquid pool fire crosswind validation study presented, two experimental crosswind configurations (2 m/s and 9.5 m/s) are showcased for a fire-engulfed mock fuselage roughly 4 m in diameter. Using the best model-form practices identified in the isothermal study, dynamic coefficient 𝑘 sgs exchange-based WMLES fire validation findings demonstrate accurate peak irradiation and skin temperature predictions as a function of crosswind magnitude. Excessive yaw in the low-crosswind fuselage configuration, consistent with experimental findings, captured a significant predicted asymmetry in flame attachment and heat flux toward the downwind cylindrical cap—indicative of axial vortex structures transporting the flame along the upper and lower fuselage leeward surface. All fire mesh resolution simulations captured the experimental finding that as crosswind increased, predicted flame shape and peak irradiation magnitude onto the fuselage transitioned from a windward to a leeward cylinder location due to the migration of the upper- to lower-shear fuel/air mixing layer thereby demonstrating the novelty, significance, and credibility of this high-fidelity WMLES reacting flow framework.

Domino, Stefan Paul [Sandia National Laboratories ↗

DOE OSTI2022

Analysis of SCALE Criticality and Sensitivity Calculations for Reflected HEU Cylinders

The SCALE code package offers multiple nuclear data libraries and sensitivity and uncertainty (S/U) methods supporting and derived from Monte Carlo (MC) transport. The CSAS and TSUNAMI-3D sequences use KENO MC, utilizing either continuous-energy (CE) cross sections or multigroup (MG) cross section libraries. TSUNAMI-3D has two CE calculational methods: the iterated fission probability (IFP) method, and the Contribution-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) method. Previous work has shown poor agreement between CLUTCH and confirmatory direct perturbation calculations in specific applications (e.g., fissionable and polyethylene reflectors). The HEU-MET-FAST-084 (HMF-084) International Criticality Safety Benchmark Evaluation Project evaluation consists of 27 cylindrical highly enriched uranium metal cores with 14 unique reflector materials of 0.5 and 1 in. thicknesses. Included in this list of reflector materials are natural uranium and polyethylene. This work utilized SCALE 6.2.4 models of the HMF-084 evaluation, with additional non-physical configurations to test both the MG bias and CLUTCH functionality across a variety of reflector material thicknesses. The evaluation’s use of concentric cylinders allowed for examination of several MG self-shielding methods: infinite homogenous, cylindrical, and spherical. The results indicate that the use of polyethylene reflectors with CLUTCH is not fundamentally impossible but sensitive to geometry. The poor performance of CLUTCH with fissionable reflectors was reaffirmed. The 2 in. and greater polyethylene-reflected calculations demonstrate the necessity of using the 302-group library for fast systems. The nickel MG bias was substantial, as discussed in a companion paper, as were cobalt and iron.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Effects of spatiotemporal plasma power distribution on the modeling of ignition kernel evolution in quiescent and turbulent methane/air mixtures

Abstract The present work improves a phenomenological plasma-assisted combustion model by integrating the spatiotemporal distribution of plasma power density, thereby considering the evolution of plasma streamers in the modeling, and subsequently, better predicting the ignition kernel evolution. The improved phenomenological model is validated against experiments representing the plasma discharge and post-discharge ignition kernel evolution. Specifically, the new model demonstrates a more accurate prediction of ultrafast gas heating and O 2 dissociation during the plasma discharge, compared to the original model. In addition, the new model is found to closely match the experimental pressure wave and heated channel profiles post-discharge without the need for tuning the energy deposition (unlike the original model), highlighting its accuracy of post-discharge ignition kernel dynamics. The improved phenomenological model is then employed to investigate ignition kernel evolution for a stoichiometric methane-air discharge across various discharge gap configurations. Simulations reveal a non-uniform temperature and streamer distribution progressing from the electrode tips toward the center, contrasting uniform cylindrical discharges previously described in the original model. Streamer propagation is observed to be faster for larger gaps when maintained at the same average electric field for different discharge gaps. The tendency of smaller gaps to produce detached toroidal ignition kernels is observed, while larger gaps promote cylindrical and attached ignition kernels. Interactions between successive ignition kernels from consecutive discharges varied significantly, with the smallest gap (1 mm) promoting the quenching of the preceding ignition kernel due to the initial kernel–kernel separation. The intermediate gap (2 mm) promotes detached kernel growth. In contrast, in the largest gap (4 mm), kernels consistently combine and expand attached to electrodes. The impact of homogeneous isotropic turbulence is also explored, showing the persistence of ignition kernels early on but eventually quenching due to enhanced radical and heat losses with pronounced turbulence intensity.

Johnson, Praise Noah↗

DOE OSTI2021

Development, Implementation, and Verification of Partially-Ionized Collisional Multifluid Plasma Models in Drekar

We consider the development of multifluid models for partially ionized multispecies plasmas. The models are composed of a standard set of five-moment fluid equations for each species plus a description of electromagnetics. The most general model considered utilizes a full set of fluid equations for each charge state of each atomic species, plus a set of fluid equations for electrons. The fluid equations are coupled through source terms describing electromagnetic coupling, ionization, recombination, charge exchange, and elastic scattering collisions in the low-density coronal limit. The form of each of these source terms is described in detail, and references for required rate coefficients are identified for a diverse range of atomic species. Initial efforts have been made to extend these models to incorporate some higher-density collisional effects, including ionization potential depression and three- body recombination. Some reductions of the general multifluid model are considered. First, a reduced multifluid model is derived which averages over all of the charge states (including neutrals) of each atomic species in the general multifluid model. The resulting model maintains full consistency with the general multifluid model from which it is derived by leveraging a quasi-steady-state collisional ionization equilibrium assumption to recover the ionization fractions required to make use of the general collision models. Further reductions are briefly considered to derive certain components of a single-fluid magnetohydrodynamics (MHD) model. In this case, a generalized Ohm's law is obtained, and the standard MHD resistivity is expressed in terms of the collisional models used in the general multifluid model. A number of numerical considerations required to obtain robust implementations of these multifluid models are discussed. First, an algebraic flux correction (AFC) stabilization approach for a continuous Galerkin finite element discretization of the multifluid system is described in which the characteristic speeds used in the stabilization of the fluid systems are synchronized across all species in the model. It is demonstrated that this synchronization is crucial in order to obtain a robust discretization of the multifluid system. Additionally, several different formulations are considered for describing the electromagnetics portion of the multifluid system using nodal continuous Galerkin finite element discretizations. The formulations considered include a parabolic divergence cleaning method and an implicit projection method for the traditional curl formulation of Maxwell's equations, a purely- hyperbolic potential-based formulation of Maxwell's equations, and a mixed hyperbolic-elliptic potential-based formulation of Maxwell's equations. Some advantages and disadvantages of each formulation are explored to compare solution robustness and the ease of use of each formulation. Numerical results are presented to demonstrate the accuracy and robustness of various components of our implementation. Analytic solutions for a spatially homogeneous damped plasma oscillation are derived in order to verify the implementation of the source terms for electromagnetic coupling and elastic collisions between fluid species. Ionization balance as a function of electron temperature is evaluated for several atomic species of interest by comparing to steady-state calculations using various sets of ionization and recombination rate coefficients. Several test problems in one and two spatial dimensions are used to demonstrate the accuracy and robustness of the discretization and stabilization approach for the fluid components of the multifluid system. This includes standard test problems for electrostatic and electromagnetic shock tubes in the two-fluid and ideal shock-MHD limits, a cylindrical diocotron instability, and the GEM challenge magnetic reconnection problem. A one-dimensional simplified prototype of an argon gas puff configuration as deployed on Sandia's Z-machine is used as a demonstration to exercise the full range of capabilities associated with the general multifluid model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Geometric concepts for stellarator permanent magnet arrays

The development of stellarators that use permanent magnet arrays to shape their confining magnetic fields has been a topic of recent interest, but the requirements for how such magnets must be shaped, manufactured, and assembled remain to be determined. To address these open questions, we have performed a study of geometric concepts for magnet arrays with the aid of the newly developed MAGPIE code. A proposed experiment similar to the National Compact Stellarator Experiment (NCSX) is used as a test case. Here, two classes of magnet geometry are explored: curved bricks that conform to a regular grid in cylindrical coordinates, and hexahedra that conform to the toroidal plasma geometry. In addition, we test constraints on the magnet polarization. While magnet configurations constrained to be polarized normally to a toroidal surface around the plasma are unable to meet the required magnetic field parameters when subject to physical limitations on the strength of present-day magnets, configurations with unconstrained polarizations are shown to satisfy the physics requirements for a targeted plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Geometric concepts for stellarator permanent magnet arrays

The development of stellarators that use permanent magnet arrays to shape their confining magnetic fields has been a topic of recent interest, but the requirements for how such magnets must be shaped, manufactured, and assembled remain to be determined. To address these open questions, we have performed a study of geometric concepts for magnet arrays with the aid of the newly developed MAGPIE code. A proposed experiment similar to the National Compact Stellarator Experiment (NCSX) is used as a test case. Two classes of magnet geometry are explored: curved bricks that conform to a regular grid in cylindrical coordinates, and hexahedra that conform to the toroidal plasma geometry. In addition, we test constraints on the magnet polarization. While magnet configurations constrained to be polarized normally to a toroidal surface around the plasma are unable to meet the required magnetic field parameters when subject to physical limitations on the strength of present-day magnets, configurations with unconstrained polarizations are shown to satisfy the physics requirements for a targeted plasma.

stellarator, permanent magnet, optimization↗

DOE OSTI2021

van der Waals corrected density functionals for cylindrical surfaces: Ammonia and nitrogen dioxide adsorbed on a single-walled carbon nanotube

In this work, we extend the damped Zaremba-Kohn model (dZK) for long-range dispersion interaction between a molecule and a planar surface to molecules adsorbed on a curved cylindrical surface, and employ this extended model as an additive correction to the semilocal density functionals PBE (Perdew-Burke-Ernzerhof) and SCAN (strongly constrained and appropriately normed). The resulting PBE+vdW (van der Waals)-dZK and SCAN+vdW-dZK are applied to two systems, NH3 and NO2 molecules adsorbed on a single-wall carbon nanotube (CNT), for calculations of binding energies and equilibrium distances. For comparison, the results from vdW nonlocal functionals, such as SCAN+rVV10 and PBE+rVV10, are also presented. The binding energies from PBE+rVV10 (Vydrov and Van Voorhis), SCAN+rVV10, PBE+vdW-dZK, and SCAN+vdW-dZK are about 70–115 meV for the system of CNT + NH 3 and 300–500 meV for the system of CNT + NO 2 . The results from PBE+vdW-dZK and SCAN+vdW-dZK are closer to each other than those from PBE+rVV10 and SCAN+rVV10 are. The relatively closer results from PBE+vdW-dZK and SCAN+vdW-dZK indicate the consistency of our developed vdW–dZK model for cylindrical surfaces. All methods, including PBE, SCAN, PBE+rVV10, SCAN+rVV10, PBE+vdW-dZK, and SCAN+vdW-dZK, give approximately the same binding energy differences between two adsorption configurations (types I and II) for the two systems. This implies that the two adsorption sites have approximately the same adsorption stability. The exponent of the vdW interaction power law from our vdW-dZK model for the two systems is about 0 at short distance, largely due to the damping factor, and tends slowly to –4 to –4.5 at distances D about 20–50 Å. At even larger distances, the vdW power-law exponent approaches –5. This feature is very similar to the one calculated with random-phase approximation and renormalization group approaches, supporting the applicability of our methods. Our developed vdW-dZK method provides a highly efficient and reliable method for large systems with cylindrical surfaces, such as vdW interactions with nanotubes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗