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NASA NTRS1996

Comparison of Non-Parabolic Hydrodynamic Simulations for Semiconductor Devices

Parabolic drift-diffusion simulators are common engineering level design tools for semiconductor devices. Hydrodynamic simulators, based on the parabolic band approximation, are becoming more prevalent as device dimensions shrink and energy transport effects begin to dominate device characteristic. However, band structure effects present in state-of-the-art devices necessitate relaxing the parabolic band approximation. This paper presents simulations of ballistic diodes, a benchmark device, of Si and GaAs using two different non-parabolic hydrodynamic formulations. The first formulation uses the Kane dispersion relationship in the derivation of the conservation equations. The second model uses a power law dispersion relation {(hk)(exp 2)/2m = xW(exp Y)}. Current-voltage relations show that for the ballistic diodes considered. the non-parabolic formulations predict less current than the parabolic case. Explanations of this will be provided by examination of velocity and energy profiles. At low bias, the simulations based on the Kane formulation predict greater current flow than the power law formulation. As the bias is increased this trend changes and the power law predicts greater current than the Kane formulation. It will be shown that the non-parabolicity and energy range of the hydrodynamic model based on the Kane dispersion relation are limited due to the binomial approximation which was utilized in the derivation.

Smith, A. W.↗

NASA NTRS1996

Non-Parabolic Hydrodynamic Formulations for the Simulation of Inhomogeneous Semiconductor Devices

Hydrodynamic models are becoming prevalent design tools for small scale devices and other devices in which high energy effects can dominate transport. Most current hydrodynamic models use a parabolic band approximation to obtain fairly simple conservation equations. Interest in accounting for band structure effects in hydrodynamic device simulation has begun to grow since parabolic models cannot fully describe the transport in state of the art devices due to the distribution populating non-parabolic states within the band. This paper presents two different non-parabolic formulations or the hydrodynamic model suitable for the simulation of inhomogeneous semiconductor devices. The first formulation uses the Kane dispersion relationship ((hk)(exp 2)/2m = W(1 + alphaW). The second formulation makes use of a power law ((hk)(exp 2)/2m = xW(exp y)) for the dispersion relation. Hydrodynamic models which use the first formulation rely on the binomial expansion to obtain moment equations with closed form coefficients. This limits the energy range over which the model is valid. The power law formulation readily produces closed form coefficients similar to those obtained using the parabolic band approximation. However, the fitting parameters (x,y) are only valid over a limited energy range. The physical significance of the band non-parabolicity is discussed as well as the advantages/disadvantages and approximations of the two non-parabolic models. A companion paper describes device simulations based on the three dispersion relationships; parabolic, Kane dispersion and power law dispersion.

Smith, A. W.↗

NASA NTRS1995

Non-parabolic hydrodynamic formulations for the simulation of inhomogeneous semiconductor devices

Hydrodynamic models are becoming prevalent design tools for small scale devices and other devices in which high energy effects can dominate transport. Most current hydrodynamic models use a parabolic band approximation to obtain fairly simple conservation equations. Interest in accounting for band structure effects in hydrodynamic device simulation has begun to grow since parabolic models can not fully describe the transport in state of the art devices due to the distribution populating non-parabolic states within the band. This paper presents two different non-parabolic formulations of the hydrodynamic model suitable for the simulation of inhomogeneous semiconductor devices. The first formulation uses the Kane dispersion relationship (hk)(exp 2)/2m = W(1 + alpha(W)). The second formulation makes use of a power law ((hk)(exp 2)/2m = xW(sup y)) for the dispersion relation. Hydrodynamic models which use the first formulation rely on the binomial expansion to obtain moment equations with closed form coefficients. This limits the energy range over which the model is valid. The power law formulation readily produces closed form coefficients similar to those obtained using the parabolic band approximation. However, the fitting parameters (x,y) are only valid over a limited energy range. The physical significance of the band non-parabolicity is discussed as well as the advantages/disadvantages and approximations of the two non-parabolic models. A companion paper describes device simulations based on the three dispersion relationships: parabolic, Kane dispersion, and power low dispersion.

Smith, Arlynn W.↗

NASA NTRS1995

Simulation of 100-300 GHz solid-state harmonic sources

Accurate and efficient simulations of the large-signal time-dependent characteristics of second-harmonic Transferred Electron Oscillators (TEO's) and Heterostructure Barrier Varactor (HBV) frequency triplers have been obtained. This is accomplished by using a novel and efficient harmonic-balance circuit analysis technique which facilitates the integration of physics-based hydrodynamic device simulators. The integrated hydrodynamic device/harmonic-balance circuit simulators allow TEO and HBV circuits to be co-designed from both a device and a circuit point of view. Comparisons have been made with published experimental data for both TEO's and HBV's. For TEO's, excellent correlation has been obtained at 140 GHz and 188 GHz in second-harmonic operation. Excellent correlation has also been obtained for HBV frequency triplers operating near 200 GHz. For HBV's, both a lumped quasi-static equivalent circuit model and the hydrodynamic device simulator have been linked to the harmonic-balance circuit simulator. This comparison illustrates the importance of representing active devices with physics-based numerical device models rather than analytical device models.

NONLINEAR CIRCUITS↗

DOE OSTI2020

Influence of Time and Frequency Domain Wave Forcing on the Power Estimation of a Wave Energy Converter Array

Industry-specific tools for analyzing and optimizing the design of wave energy converters (WECs) and associated power systems are essential to advancing marine renewable energy. This study aims to quantify the influence of phase information on the device power output of a virtual WEC array. We run the phase-resolving wave model FUNWAVE-TVD (Total Variation Diminishing) to generate directional waves at the PacWave South site offshore from Newport, Oregon, where future WECs are expected to be installed for testing. The two broad cases presented correspond to mean wave climates during warm months (March–August) and cold months (September–February). FUNWAVE-TVD time series of sea-surface elevation are then used in WEC-Sim, a time domain numerical model, to simulate the hydrodynamic response of each device in the array and estimate their power output. For comparison, WEC-Sim is also run with wave energy spectra calculated from the FUNWAVE-TVD simulations, which do not retain phase information, and with wave spectra computed using the phase-averaged model Simulating WAves Nearshore (SWAN). The use of spectral data in WEC-Sim requires a conversion from frequency to time domain by means of random superposition of wave components, which are not necessarily consistent because of the linear assumption implicit in this method. Thus, power response is characterized by multiple realizations of the wave climates.

13 HYDRO ENERGY↗

NASA NTRS1993

An acoustic charge transport imager for high definition television applications

This report covers: (1) invention of a new, ultra-low noise, low operating voltage APD which is expected to offer far better performance than the existing volume doped APD device; (2) performance of a comprehensive series of experiments on the acoustic and piezoelectric properties of ZnO films sputtered on GaAs which can possibly lead to a decrease in the required rf drive power for ACT devices by 15dB; (3) development of an advanced, hydrodynamic, macroscopic simulator used for evaluating the performance of ACT and CTD devices and aiding in the development of the next generation of devices; (4) experimental development of CTD devices which utilize a p-doped top barrier demonstrating charge storage capacity and low leakage currents; (5) refinements in materials growth techniques and in situ controls to lower surface defect densities to record levels as well as increase material uniformity and quality.

Hunt, William D.↗

DOE OSTI2020

Hydrodynamic conditions in laser irradiated buried layer experiments

The calculation of open shell ionization level and radiative properties of materials in Non-Local Thermal Equilibrium (NLTE) is currently still a major challenge for any atomic model. The predictions of various NLTE atomic codes at these conditions still differ significantly. In recent years, a new buried layer platform was developed at the Lawrence Livermore National Laboratory and the Laboratory for Laser Energetics. This platform is used to measure ionization distribution and emission of open L-shell, mid-Z ions and open M-shell, high-Z ions at NLTE conditions that are relevant in many laser plasma applications. These experiments offer a unique chance for benchmarking the atomic models. In order to perform these experiments, a uniform well characterized plasma source is required. In this work, we present one-dimensional (1D) and two-dimensional simulations of the experimental platform. These simulations were used for both the design and the analysis of the experiments. The simulations demonstrate the different phases of hydrodynamic evolution of the target and identify the time windows in which uniform conditions can be achieved. A 1D expansion of the target was found to be adequate to describe the target's evolution for most of the experiment duration. The fast 1D simulations were compared with recent experimental results from the Omega laser facility. The sensitivity of the results to several modeling parameters such as the electron flux limiter and laser resonant absorption is reported.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1989

Solution of the hydrodynamic device model using high-order non-oscillatory shock capturing algorithms

A micron n+ - n - n+ silicon diode is simulated via the hydrodynamic model for carrier transport. The numerical algorithms employed are for the non-steady case, and a limiting process is used to reach steady state. The simulation employs shock capturing algorithms, and indeed shocks, or very rapid transition regimes, are observed in the transient case for the coupled system, consisting of the potential equation and the conservation equations describing charge, momentum, and energy transfer for the electron carriers. These algorithms, termed essentially non-oscillatory, were successfully applied in other contexts to model the flow in gas dynamics, magnetohydrodynamics, and other physical situations involving the conservation laws in fluid mechanics. The method here is first order in time, but the use of small time steps allows for good accuracy. Runge-Kutta methods allow one to achieve higher accuracy in time if desired. The spatial accuracy is of high order in regions of smoothness.

Fatemi, Emad↗

NASA NTRS1991

Solution of the hydrodynamic device model using high-order non-oscillatory shock capturing algorithms

A micron n+ - n - n+ silicon diode is simulated via the hydrodynamic model for carrier transport. The numerical algorithms employed are for the non-steady case, and a limiting process is used to reach steady state. The simulation employs shock capturing algorithms, and indeed shocks, or very rapid transition regimes, are observed in the transient case for the coupled system, consisting of the potential equation and the conservation equations describing charge, momentum, and energy transfer for the electron carriers. These algorithms, termed essentially nonoscillatory, were successfully applied in other contexts to model the flow in gas dynamics, magnetohydrodynamics, and other physical situations involving the conservation laws in fluid mechanics. The method here is first order in time, but the use of small time steps allows for good accuracy. Runge-Kutta methods allow one to achieve higher accuracy in time if desired. The spatial accuracy is of high order in regions of smoothness.

Fatemi, Emad↗

DOE OSTI2024

Evidence of non-isentropic release from high residual temperatures in shocked metals measured with ultrafast x-ray diffraction

Shock experiments are widely used to understand the mechanical and electronic properties of matter under extreme conditions. However, after shock loading to a Hugoniot state, a clear description of the post-shock thermal state and its impacts on materials is still lacking. We used diffraction patterns from 100-fs x-ray pulses to investigate the temperature evolution of laser-shocked Al–Zr metal film composites at time delays ranging from 5 to 75 ns driven by a 120-ps short-pulse laser. We found significant heating of both Al and Zr after shock release, which can be attributed to heat generated by inelastic deformation. A conventional hydrodynamic model that employs (i) typical descriptions of Al and Zr mechanical strength and (ii) elevated strength responses (which might be attributed to an unknown strain rate dependence) did not fully account for the measured temperature increase, which suggests that other strength-related mechanisms (such as fine-scale void growth) could play an important role in thermal responses under shock wave loading/unloading cycles. Our results suggest that a significant portion of the total shock energy delivered by lasers becomes heat due to defect-facilitated plastic work, leaving less converted to kinetic energy. This heating effect may be common in laser-shocked experiments but has not been well acknowledged. High post-shock temperatures may induce phase transformation of materials during shock release. Another implication for the study is the preservability of magnetic records from planetary surfaces that have a shock history from frequent impact events.

42 ENGINEERING↗

DOE OSTI2022

Density measurements for the National Ignition Facility (NIF) opacity platform

The Opacity Platform on the National Ignition Facility (NIF) has been developed to measure opacities at varying densities and temperatures relevant to the solar interior and thermal cooling rates in white dwarf stars. The typical temperatures reached at NIF range between 150 and 210 eV, which allow these measurements to be performed experimentally. The captured opacities are crucial to validating radiation-hydrodynamic models that are used in astrophysics. The NIF opacity platform has a unique new capability that allows in situ measurement of the sample expansion. The sample expansion data are used to better understand the plasma conditions in our experiments by inferring the sample density throughout the duration of the laser drive. Here, we present the details of the density measurement technique, data analysis, and recent results for Fe and MgO.

47 OTHER INSTRUMENTATION↗

NASA NTRS2000

Hierarchical Statistical 3D ' Atomistic' Simulation of Decanano MOSFETs: Drift-Diffusion, Hydrodynamic and Quantum Mechanical Approaches

When MOSFETs are scaled to deep submicron dimensions the discreteness and randomness of the dopant charges in the channel region introduces significant fluctuations in the device characteristics. This effect, predicted 20 year ago, has been confirmed experimentally and in simulation studies. The impact of the fluctuations on the functionality, yield, and reliability of the corresponding systems shifts the paradigm of the numerical device simulation. It becomes insufficient to simulate only one device representing one macroscopical design in a continuous charge approximation. An ensemble of macroscopically identical but microscopically different devices has to be characterized by simulation of statistically significant samples. The aims of the numerical simulations shift from predicting the characteristics of a single device with continuous doping towards estimating the mean values and the standard deviations of basic design parameters such as threshold voltage, subthreshold slope, transconductance, drive current, etc. for the whole ensemble of 'atomistically' different devices in the system. It has to be pointed out that even the mean values obtained from 'atomistic' simulations are not identical to the values obtained from continuous doping simulations. In this paper we present a hierarchical approach to the 'atomistic' simulation of aggressively scaled decanano MOSFETs. A full scale 3D drift-diffusion'atomostic' simulation approach is first described and used for verification of the more economical, but also more restricted, options. To reduce the processor time and memory requirements at high drain voltage we have developed a self-consistent option based on a thin slab solution of the current continuity equation only in the channel region. This is coupled to the Poisson's equation solution in the whole simulation domain in the Gummel iteration cycles. The accuracy of this approach is investigated in comparison with the full self-consistent solution. At low drain voltage only single solution of the nonlinear Poisson equation is sufficient to extract the current with satisfactory accuracy. A pilot version of a hydrodynamic 'atomistic' simulator has been developed in order to study the effect of the nonequilibrium, non local transport in decanano MOSFETs on the random dopant induced current fluctuations. For the first time we have also applied the density gradient approach in 3D to investigate the effect of the quantum confinement on the threshold voltage fluctuations. The developed 'atomistic' simulation techniques have been applied to study various fluctuation resistant MOSFET architectures including epitaxial and delta doped devices.

Asenov, Asen↗

DOE OSTI2021

Hydrodynamic and Ballistic Transport over Large Length Scales in GaAs/AlGaAs

We study hydrodynamic and ballistic transport regimes through nonlocal resistance measurements and high-resolution kinetic simulations in a mesoscopic structure on a high-mobility two-dimensional electron system in a GaAs/AlGaAs heterostructure. We evince the existence of collective transport phenomena in both regimes and demonstrate that negative nonlocal resistances and current vortices are not exclusive to only the hydrodynamic regime. Here, the combined experiments and simulations highlight the importance of device design, measurement schemes, and one-to-one modeling of experimental devices to demarcate various transport regimes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Modelling a Heaving Point-Absorber with a Closed-Loop Control System Using the DualSPHysics Code

The present work addresses the need for an efficient, versatile, accurate and open-source numerical tool to be used during the design stage of wave energy converters (WECs). The device considered here is the heaving point-absorber developed and tested by Sandia National Laboratories. The smoothed particle hydrodynamics (SPH) method, as implemented in DualSPHysics, is proposed since its meshless approach presents some important advantages when simulating floating devices. The dynamics of the power take-off system are also modelled by coupling DualSPHysics with the multi-physics library Project Chrono. A satisfactory matching between experimental and numerical results is obtained for: (i) the heave response of the device when forced via its actuator; (ii) the vertical forces acting on the fixed device under regular waves and; (iii) the heave response of the WEC under the action of both regular waves and the actuator force. This proves the ability of the numerical approach proposed to simulate accurately the fluid–structure interaction along with the WEC’s closed-loop control system. In addition, radiation models built from the experimental and WAMIT results are compared with DualSPHysics by plotting the intrinsic impedance in the frequency domain, showing that the SPH method can be also employed for system identification.

42 ENGINEERING↗

NASA NTRS2005

Analytic Modeling of the Hydrodynamic, Thermal, and Structural Behavior of Foil Thrust Bearings

A simulation and modeling effort is conducted on gas foil thrust bearings. A foil bearing is a self acting hydrodynamic device capable of separating stationary and rotating components of rotating machinery by a film of air or other gaseous lubricant. Although simple in appearance these bearings have proven to be complicated devices in analysis. They are sensitive to fluid structure interaction, use a compressible gas as a lubricant, may not be in the fully continuum range of fluid mechanics, and operate in the range where viscous heat generation is significant. These factors provide a challenge to the simulation and modeling task. The Reynolds equation with the addition of Knudsen number effects due to thin film thicknesses is used to simulate the hydrodynamics. The energy equation is manipulated to simulate the temperature field of the lubricant film and combined with the ideal gas relationship, provides density field input to the Reynolds equation. Heat transfer between the lubricant and the surroundings is also modeled. The structural deformations of the bearing are modeled with a single partial differential equation. The equation models the top foil as a thin, bending dominated membrane whose deflections are governed by the biharmonic equation. A linear superposition of hydrodynamic load and compliant foundation reaction is included. The stiffness of the compliant foundation is modeled as a distributed stiffness that supports the top foil. The system of governing equations is solved numerically by a computer program written in the Mathematica computing environment. Representative calculations and comparisons with experimental results are included for a generation I gas foil thrust bearing.

Bruckner, Robert J.↗

DOE OSTI2024

WEC-Sim Modeling of Laminar Scientific's Patented Seesaw Wave Energy Converter: Preprint

Laminar Scientific's patented seesaw wave energy converter was modeled in WEC-Sim to predict performance. The device operates by utilizing ocean surface waves to rotate a truss in pitch about a pivot. The pivot is located at the top of two pylons, which are embedded in the seafloor. The seesaw has a float on either end, and the buoyancy forces from each float cause the system to rise or fall with passing waves. Device performance relies upon seesaw length and ocean wavelength creating an antiphase effect. The seesaw truss has an adjustable length intended to achieve this effect. The operation method enforces a narrow band of wavelengths which induce the largest rotational motion from the device. The hydrodynamic analysis of the device was performed using Capytaine, and the results confirmed that the device operates best in a narrow frequency band. Four float-to-float spacing cases and three pylon radii were examined. The hydrodynamic results indicate a match between the model and the physical expectations for the device, and that varying the pylon radii by 0.1-m increments for three instances creates minimal changes in hydrodynamic properties. Power matrices for three float spacing cases of the device were simulated with Joint North Sea Wave Project spectra waves and optimal power take-off damping in WEC-Sim. The maximum average power production for the 15-m spacing case was 14.1 kW with a 5.0-s peak wave period and 4-m significant wave heights. Plots of capture-width ratios indicated that the device performance was linear and confirmed that the device is optimal in a narrow frequency band. The maximum percentage of the available wave power produced by the 15-m device was approximately 16%. Simulations of the device in regular waves were used to produce plots of average power compared to a ratio of float spacing to wavelength. These plots indicate that the power production is maximized at a ratio of 0.5, and further confirm that the device has a narrow frequency response. The device was simulated at an example field location, where the device produced an annual average power rating of 1.6 kW given an average omnidirectional wave climate of 10.3 kW m-1 and an optimal, linearized power take-off model. While the maximum predicted device performance is reliant upon a narrow band of wave frequencies, the conducted analysis provides an opportunity to improve device design prior to prototyping and testing. Modifying the design to respond to a broader frequency range would improve device performance.

numerical modeling↗

DOE OSTI2022

Quantum simulations of hydrodynamics via the Madelung transformation

Developing numerical methods to simulate efficiently nonlinear fluid dynamics on universal quantum computers is a challenging problem. In this paper, a generalization of the Madelung transform is defined to solve quantum relativistic charged fluid equations interacting with external electromagnetic forces via the Dirac equation. The Dirac equation is discretized into discrete-time quantum walks which can be efficiently implemented on universal quantum computers. A variant of this algorithm is proposed to implement simulations using current noisy intermediate scale quantum (NISQ) devices in the case of homogeneous external forces. High resolution (up to N=2 17 grid points) numerical simulations of relativistic and nonrelativistic hydrodynamical shocks on current IBM NISQs are performed with this algorithm. Here, this paper demonstrates that fluid dynamics can be simulated on NISQs, and opens the door to simulating other fluids, including plasmas, with more general quantum walks and quantum automata.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1985

Simulation of non-linear bearing forces for post-stability investigation

Different types of bearing designs were developed to improve dynamic properties of rotor-bearing systems. Elliptical bearings, multisleeve bearings, tilting pad and other designs such as herringbone groove were utilized to increase resistance to the onset of self excited vibrations. Experimental trials are costly, two alternative methods are used to gain a qualitative insight. The first one creates mathematical model and applies both a digital or an analog computer simulation. The second one investigates phenomena occurring on the laboratory rig with the bearing replaced by an electronic simulating device, working in a feedback loop, which produces forces,which are functions of journal displacement and velocity. The simulated hydrodynamic forces are produced according to assumed characteristics matched to the bearing type. The principal benefit of the analog simulation is that nonlinear characteristics of a subsystem are precisely identified and mathematical methods applied for a wide class of problems are checked on the experimental installation.

Parszewski, Z. A.↗