Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “electrostatic”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,135 records · Page 63

Tri-gate GaN junction HEMT

This work presents a tri-gate GaN junction high-electron-mobility transistor (JHEMT) concept in which the p–n junction wraps around the AlGaN/GaN fins in the gate region. This tri-gate JHEMT differs from all existing GaN FinFETs and tri-gate HEMTs, as they employ a Schottky or a metal-insulator-semiconductor (MIS) gate stack. A tri-gate GaN JHEMT is fabricated using p-type NiO with the gate metal forming an Ohmic contact to NiO. The device shows minimal hysteresis and a subthreshold slope of 63 ± 2 mV/decade with an on-off current ratio of 10 8 . Compared to the tri-gate MISHEMTs fabricated on the same wafer, the tri-gate JHEMTs exhibit higher threshold voltage (V TH ) and achieve positive V TH without the need for additional AlGaN recess. In addition, this tri-gate JHEMT with a fin width of 60 nm achieves a breakdown voltage (BV) > 1500 V (defined at the drain current of 1 μA/mm at zero gate bias) and maintains the high BV with the fin length scaled down to 200 nm. In comparison, the tri-gate MISHEMTs with narrower and longer fins show punch-through at high voltages. Moreover, when compared to planar enhancement mode HEMTs, tri-gate JHEMTs show significantly lower channel sheet resistance in the gate region. Finally, these results illustrate a stronger channel depletion and electrostatic control in the junction tri-gate compared to the MIS tri-gate and suggest great promise of the tri-gate GaN JHEMTs for both high-voltage power and low-voltage power/digital applications.

36 MATERIALS SCIENCE↗

Constructing a new predictive scaling formula for ITER's divertor heat-load width informed by a simulation-anchored machine learning

Understanding and predicting divertor heat-load width λq is a critically important problem for an easier and more robust operation of ITER with high fusion gain. Previous predictive simulation data for λ q using the extreme-scale edge gyrokinetic code XGC1 [S. Ku et al., Phys. Plasmas 25, 056107 (2018)] in the electrostatic limit under attached divertor plasma conditions in three major US tokamaks [C. S. Chang et al., Nucl. Fusion 57, 116023 (2017)] reproduced the Eich and Goldston attached-divertor formula results [formula #14 in T. Eich et al., Nucl. Fusion 53, 093031 (2013) and R. J. Goldston, Nucl. Fusion 52, 013009 (2012)] and furthermore predicted over six times wider λ q than the maximal Eich and Goldston formula predictions on a full-power (Q = 10) scenario ITER plasma. After adding data from further predictive simulations on a highest current JET and highest-current Alcator C-Mod, a machine learning program is used to identify a new scaling formula for λ q as a simple modification to the Eich formula #14, which reproduces the Eich scaling formula for the present tokamaks and which embraces the wide λ q XGC for the full-current Q = 10 ITER plasma. Additionally, the new formula is then successfully tested on three more ITER plasmas: two corresponding to long burning scenarios with Q = 5 and one at low plasma current to be explored in the initial phases of ITER operation. The new physics that gives rise to the wider λ q XGC is identified to be the weakly collisional, trapped-electron-mode turbulence across the magnetic separatrix, which is known to be an efficient transporter of the electron heat and mass. Electromagnetic turbulence and high-collisionality effects on the new formula are the next study topics for XGC1.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tokamak ITG-KBM transition benchmarking with the mixed variables/pullback transformation electromagnetic gyrokinetic scheme

Electromagnetic gyrokinetic simulation of high temperature plasma is required to predict confinement in magnetic fusion devices and has posed challenges for existing codes. In this paper, we demonstrate successful global gyrokinetic simulation of the ion temperature gradient-driven mode-kinetic ballooning mode transition in a toroidal fusion plasma test case using the mixed variables/pullback transformation (MV/PT) scheme with the particle-in-cell codes XGC and ORB5, and compare to results from a conventional continuum code from the literature. Furthermore, the MV/PT scheme combines explicit time integration with mitigation of the well-known electromagnetic gyrokinetic “cancelation problem.” We calculate eigenmodes in the electrostatic and parallel vector potentials, and find good agreement in growth rate, real frequency, and the normalized plasma pressure of mode transition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Probe measurements of electric field and electron density fluctuations at megahertz frequencies using in-shaft miniature circuits

In this work, a four-tip electrostatic probe is constructed to measure high-frequency (0.1–10 MHz) fluctuations in both the electric field (one component) and electron density in a laboratory plasma. This probe also provides data for the local electron temperature and density. Circuits for high-frequency measurements are fabricated on two miniature boards, which are embedded in the probe shaft, near the tips to minimize the pickup of common-mode signals. The amplitude and phase response of two circuits to sinusoidal test signals are measured and compared with results from modeling. For both circuits, the phase shift between input and output signals is relatively small (<30°). The performance of the probe is verified in a high-density (~10 13 cm –3 ) and low-temperature (≲10 eV) plasma. The probe successfully measures high-frequency (~2 MHz) fluctuations in the electric field and density, which are associated with lower hybrid drift waves. This probe can provide information on the wave-associated anomalous drag, which can be compared with the classical resistivity.

47 OTHER INSTRUMENTATION↗

Role of microtearing mode in DIII-D and future high- β p core plasmas

This paper provides modeling evidence for a new variant of microturbulence instability that regulates the electron thermal fluxes in the transport barrier region of DIII-D "high β p " discharges. This scenario is being investigated as a possible scenario for future steady-state reactors, and thus it is essential to understand the physics processes which govern its performance in order to confidently extrapolate to future devices. Additional analysis examining the extrapolation of this scenario to ITER shows that while the new microtearing mode identified here is unlikely to be unstable in that regime (due to increased temperatures and reduced collisionality), the large shift in magnetic axis (Shafranov shift) that arises in these plasmas may still favor stabilization of common ballooning instabilities which peak on the low field side, but destabilize electrostatic slab modes on the high field side.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Extended Lagrangian Born–Oppenheimer molecular dynamics for orbital-free density-functional theory and polarizable charge equilibration models

We report extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) is formulated for orbital-free Hohenberg–Kohn density-functional theory and for charge equilibration and polarizable force-field models that can be derived from the same orbital-free framework. The purpose is to introduce the most recent features of orbital-based XL-BOMD to molecular dynamics simulations based on charge equilibration and polarizable force-field models. These features include a metric tensor generalization of the extended harmonic potential, preconditioners, and the ability to use only a single Coulomb summation to determine the fully equilibrated charges and the interatomic forces in each time step for the shadow Born–Oppenheimer potential energy surface. The orbital-free formulation has a charge-dependent, short-range energy term that is separate from long-range Coulomb interactions. This enables local parameterizations of the short-range energy term, while the long-range electrostatic interactions can be treated separately. The theory is illustrated for molecular dynamics simulations of an atomistic system described by a charge equilibration model with periodic boundary conditions. The system of linear equations that determines the equilibrated charges and the forces is diagonal, and only a single Ewald summation is needed in each time step. The simulations exhibit the same features in accuracy, convergence, and stability as are expected from orbital-based XL-BOMD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ion-temperature determination with a baffled Langmuir probe

An electrostatic Langmuir probe for real-time measurements of parameters in magnetized plasma is tested in fully ionized, barium, Q-machine plasma. The small-diameter, long-length, tungsten wire sensor, i.e., the probe tip, oriented with its cylindrical axis perpendicular to the magnetic field (B), is partially shielded by ceramic baffles, or masks, that form sensor-access slots between the baffles. Adjusting the azimuthal orientation of the slots, by rotating the probe about its cylindrical axis, changes the fraction of proximity gyro-orbiting electrons, relative to the fraction of proximity gyro-orbiting ions, that can access the recessed sensor along the magnetic field. Thus, the ratio between the electron and ion saturation currents, $I^{sat}_e$ and $I^{sat}_i$, can be adjusted without having affected the probe bias voltage V b . When optimally shielded ($I^{sat}_e/I^{sat}_i$=1), accurate, real-time measurements of space potential Vs can be acquired. When maximally shielded ($I^{sat}_e/I^{sat}_i$ << 1), accurate, real-time measurements of ion temperature T i can be acquired. Subtracting the floating potential V f of an optimally shielded baffled probe from V f of a maximally shielded baffled probe yields T i (and its fluctuation phase) in real time.

47 OTHER INSTRUMENTATION↗

Calculation of self-diffusion coefficients in supercritical carbon dioxide using mean force kinetic theory

This paper presents an application of mean force kinetic theory (MFT) to the calculation of the self-diffusivity of CO 2 in the supercritical fluid regime. Two modifications to the typical application of MFT are employed to allow its application to a system of molecular species. Therefore, the first is the assumption that the inter-particle potential of mean force can be obtained from the molecule center-of-mass pair correlation function, which in the case of CO 2 is the C–C pair correlation function. The second is a new definition of the Enskog factor that describes the effect of correlations at the surface of the collision volume. The new definition retains the physical picture that this quantity represents a local density increase, resulting from particle correlations, relative to that in the zero density homogeneous fluid limit. These calculations are facilitated by the calculation of pair correlation functions from molecular dynamics (MD) simulations using the FEPM2 molecular CO2 model. The self-diffusivity calculated from theory is in good agreement with that from MD simulations up to and slightly beyond the density at the location of the Frenkel line. The calculation is compared with and is found to perform similarly well to other commonly used models but has a greater potential for application to systems of mixed species and to systems of particles with long range interatomic potentials due to electrostatic interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles

The message passing neural network (MPNN) framework is a promising tool for modeling atomic properties but is, until recently, incompatible with directional properties, such as Cartesian tensors. We propose a modified Cartesian MPNN (CMPNN) suitable for predicting atom-centered multipoles, an essential component of ab initio force fields. The efficacy of this model is demonstrated on a newly developed dataset consisting of 46 623 chemical structures and corresponding high-quality atomic multipoles, which was deposited into the publicly available Molecular Sciences Software Institute QCArchive server. We show that the CMPNN accurately predicts atom-centered charges, dipoles, and quadrupoles and that errors in the predicted atomic multipoles have a negligible effect on multipole–multipole electrostatic energies. The CMPNN is accurate enough to model conformational dependencies of a molecule’s electronic structure. This opens up the possibility of recomputing atomic multipoles on the fly throughout a simulation in which they might exhibit strong conformational dependence.

Glick, Zachary L. (ORCID:0000000309002849)↗

Effects of Coulomb collisions on lower hybrid drift waves inside a laboratory reconnection current sheet

We have developed a local, linear theoretical model for lower hybrid drift waves that can be used for plasmas in the weakly collisional regime. Two cases with typical plasma and field parameters for the current sheet of the magnetic reconnection experiment have been studied. For a case with a low electron beta (β e =0.25, high guide field case), the quasi-electrostatic lower hybrid drift wave is unstable, while the electromagnetic lower hybrid drift wave has a positive growth rate for a high-β e case (β e =8.9, low guide field case). For both cases, including the effects of Coulomb collisions reduces the growth rate but collisional impacts on the dispersion and growth rate are limited (≲20%).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Recent performance of the SNS H - ion source with a record long run

The Spallation Neutron Source (SNS) accelerator system includes a 65 keV H - injector, a 2.5 MeV radio frequency quadrupole (RFQ), a 1 GeV linac chain (DTL-CCL-SCL) and an accumulator ring. The H - injector consists of an RF-driven, Cs-enhanced, multi-cusp H - ion source and a compact, two-lens electrostatic low energy beam transport (LEBT). In 2018, a new RFQ was installed in place of the original RFQ along with upgraded ion source support infrastructure. This paper presents the operational performance and some highlights of beam studies with the SNS ion source since the new RFQ was put into operation. SNS routinely operates at 1.4 MW average beam power for three run cycles per year. During the most recently finished run, FY20B, we operated a single source for the entire run spanning ~4 months with a >99.5% availability. A single dose of cesiation was conducted during the ion source startup which yielded ≥54 mA current for the entire run with just few minor adjustments of parameters.

Han, Baoxi↗

A graphene edge-mediated quantum gate

We propose a quantum gate architecture that allows for the systematic control of the effective exchange interactions between magnetic impurities embedded in nanoscale graphene flakes connected by a gated bridge. The entanglement between the magnetic moment and the edge states of the fragments is used to electrostatically tune the exchange interaction from ferro to antiferromagnetic by merely changing the bridge's carrier density. By characterizing the effects of size and coupling parameters, we explore different operation regimes of this device by means of exact calculations with the density matrix renormalization group. We analyze the results utilizing a simplified model that accounts for the main many-body mechanisms. Finally, we discuss how to use arrays of these devices to build quantum simulators for quantum many-body Hamiltonians.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Kinetic mix at gas-shell interface in inverted corona fusion targets

Gas-filled, laser-driven “inverted corona” fusion targets have attracted interest as a low-convergence neutron source and platform for studying kinetic physics. At the fill pressures under investigation, ejected particles from the shell can penetrate deeply into the gas before colliding, leading to significant mixing across the gas–shell interface. Here, we use kinetic-ion, fluid-electron hybrid particle-in-cell simulations to explore the nature of that mix. Simulations of the system demonstrate characteristics of a weakly collisional electrostatic shock, whereby a strong electric field accelerates shell ions into the rarefied gas and reflects upstream gas ions. This interpenetration is mediated by collisional processes: At higher initial gas pressure, fewer shell particles pass into the mix region and reach the hotspot. This effect is detectable through neutron yield scaling vs gas pressure. Predictions of neutron yield scaling show excellent agreement with experimental data recorded at the OMEGA laser facility, suggesting that 1D kinetic mechanisms are sufficient to capture the mix process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Wave-driven torques to drive current and rotation

In the classic Landau damping initial value problem, where a planar electrostatic wave transfers energy and momentum to resonant electrons, a recoil reaction occurs in the nonresonant particles to ensure momentum conservation. To explain how net current can be driven in spite of this conservation, the literature often appeals to mechanisms that transfer this nonresonant recoil momentum to ions, which carry negligible current. However, this explanation does not allow the transport of net charge across magnetic field lines, precluding E X B rotation drive. In this study, we show that in steady state, this picture of current drive is incomplete. Using a simple Fresnel model of the plasma, we show that for lower hybrid waves, the electromagnetic energy flux (Poynting vector) and momentum flux (Maxwell stress tensor) associated with the evanescent vacuum wave become the Minkowski energy flux and momentum flux in the plasma and are ultimately transferred to resonant particles. Thus, the torque delivered to the resonant particles is ultimately supplied by the electromagnetic torque from the antenna, allowing the nonresonant recoil response to vanish and rotation to be driven. We present a warm fluid model that explains how this momentum conservation works out locally, via a Reynolds stress that does not appear in the one-dimensional initial value problem. This model is the simplest that can capture both the nonresonant recoil reaction in the initial-value problem, and the absence of a nonresonant recoil in the steady-state boundary value problem, thus forbidding rotation drive in the former while allowing it in the latter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Physics-based, neural network force fields for reactive molecular dynamics: Investigation of carbene formation from [EMIM + ][OAc - ]

Reactive molecular dynamics simulations enable detailed understanding of solvent effects on chemical reaction mechanisms and reaction rates. While classical molecular dynamics using reactive force fields allows significantly longer simulation time scales and larger system sizes compared with ab initio molecular dynamics, constructing reactive force fields is a difficult and complex task. In this work, we describe a general approach following the Empirical Valence Bond (EVB) framework for constructing ab initio reactive force fields for condensed phase simulations by combining physics-based methods with neural networks (PB/NN). The physics-based terms ensure correct asymptotic behavior of electrostatic, polarization, and dispersion interactions, and are compatible with existing solvent force fields. Neural networks are utilized for versatile description of short-range orbital interactions within the transition state region, and accurate rendering of vibrational motion of the reacting complex. Herein, we demonstrate our methodology for a simple deprotonation reaction of the 1-ethyl-3-methylimidazolium (EMIM+) cation with acetate to form 1-ethyl- 3-methylimidazol-2-ylidene and acetic acid. Our PB/NN force field exhibits ~ 1 kJ/mol MAE accuracy within the transition state region for the gas-phase complex. To characterize solvent modulation of the reaction profile, we compute potentials of mean force (PMFs) for the gas-phase reaction as well as the reaction within a four ion cluster, and benchmark against ab initio molecular dynamics simulations. We find that the surrounding ionic environment significantly destabilizes formation of the carbene product, and we show that this effect is accurately captured by the reactive force field. By construction, the PB/NN potential may be directly employed for simulations of other solvents/chemical environments without additional parameterization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Turbulent field fluctuations in gyrokinetic and fluid plasmas

A key uncertainty in the design and development of magnetic confinement fusion energy reactors is predicting edge plasma turbulence. An essential step in overcoming this uncertainty is the validation in accuracy of reduced turbulent transport models. Drift-reduced Braginskii two-fluid theory is one such set of reduced equations that has for decades simulated boundary plasmas in experiment, but significant questions exist regarding its predictive ability. To this end, using a novel physics-informed deep learning framework, we demonstrate the first ever direct quantitative comparisons of turbulent field fluctuations between electrostatic two-fluid theory and electromagnetic gyrokinetic modeling with good overall agreement found in magnetized helical plasmas at low normalized pressure. This framework presents a new technique for the numerical validation and discovery of reduced global plasma turbulence models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Learning intermolecular forces at liquid–vapor interfaces

By adopting a perspective informed by contemporary liquid-state theory, we consider how to train an artificial neural network potential to describe inhomogeneous, disordered systems. Here, we find that neural network potentials based on local representations of atomic environments are capable of describing some properties of liquid-vapor interfaces but typically fail for properties that depend on unbalanced long-ranged interactions that build up in the presence of broken translation symmetry. These same interactions cancel in the translationally invariant bulk, allowing local neural network potentials to describe bulk properties correctly. By incorporating explicit models of the slowly varying long-ranged interactions and training neural networks only on the short-ranged components, we can arrive at potentials that robustly recover interfacial properties. We find that local neural network models can sometimes approximate a local molecular field potential to correct for the truncated interactions, but this behavior is variable and hard to learn. Generally, we find that models with explicit electrostatics are easier to train and have higher accuracy. We demonstrate this perspective in a simple model of an asymmetric dipolar fluid, where the exact long-ranged interaction is known, and in an ab initio water model, where it is approximated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integration of high permittivity BaTiO 3 with AlGaN/GaN for near-theoretical breakdown field kV-class transistors

In this Letter, we discuss AlGaN/GaN HEMTs integrated with high permittivity BaTiO 3 dielectric to enable enhanced breakdown characteristics. We show that using high permittivity BaTiO 3 dielectric layers in the gate and drain access regions prevents premature gate breakdown, leading to average breakdown fields exceeding 3 MV/cm at a gate-to-drain spacing of 4 μm. The higher breakdown fields enable a high power figure of merit above 2.4 GW/cm 2 in devices with a gate-to-drain spacing of 6 μm. This work demonstrates that electrostatic engineering using high-permittivity dielectrics can enable AlGaN/GaN HEMTs in approaching the material breakdown field limits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗