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All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Deformation and failure mechanisms in metal matrix composites

An investigation was undertaken to determine the key deformation mechanisms and their interaction leading to failure of both 0 degree and 90 degree Ti 15-3/SCS-6 laminae under monotonic loading. The experimental results suggest that inelastic deformation in the 0-degree lamina is dominated by plastic deformation and that in the 90-degree lamina is dominated by both fiber-matrix debonding and plasticity. The loading-unloading response, monitoring of Poisson's ratio and microscopy were utilized to identify the key deformation mechanisms. The sequence of deformation mechanisms leading to failure are identified for both the 0 and the 90-degree specimens. The threshold strains for plasticity or damage which are referred to as 'microdeformation' in the 0 deg and 90 deg laminae are approximately 0.004 and 0.002, respectively, at room temperature. These strain levels may be considered critical in initiation based structural design with these composites.

Newaz, G.↗
DOE OSTI2022

Energy conserving and well-balanced discontinuous Galerkin methods for the Euler–Poisson equations in spherical symmetry

ABSTRACT This paper presents high-order Runge–Kutta (RK) discontinuous Galerkin methods for the Euler–Poisson equations in spherical symmetry. The scheme can preserve a general polytropic equilibrium state and achieve total energy conservation up to machine precision with carefully designed spatial and temporal discretizations. To achieve the well-balanced property, the numerical solutions are decomposed into equilibrium and fluctuation components that are treated differently in the source term approximation. One non-trivial challenge encountered in the procedure is the complexity of the equilibrium state, which is governed by the Lane–Emden equation. For total energy conservation, we present second- and third-order RK time discretization, where different source term approximations are introduced in each stage of the RK method to ensure the conservation of total energy. A carefully designed slope limiter for spherical symmetry is also introduced to eliminate oscillations near discontinuities while maintaining the well-balanced and total-energy-conserving properties. Extensive numerical examples – including a toy model of stellar core collapse with a phenomenological equation of state that results in core bounce and shock formation – are provided to demonstrate the desired properties of the proposed methods, including the well-balanced property, high-order accuracy, shock-capturing capability, and total energy conservation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2001

2D Quantum Transport Modeling in Nanoscale MOSFETs

We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on an equal footing. Electron bandstructure is treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are consistent with 1D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller leakage current than the longer gate length device without a significant trade-off in on-current.

Svizhenko, Alexei↗
DOE OSTI2025

A higher-order finite-element implementation of the nonlinear Fokker–Planck collision operator for charged particle collisions in a low density plasma

Collisions between particles in a low density plasma are described by the Fokker–Planck collision operator. In applications, this nonlinear integro-differential operator is often approximated by linearised or ad-hoc model operators due to computational cost and complexity. In this work, we present an implementation of the nonlinear Fokker–Planck collision operator written in terms of Rosenbluth potentials in the Rosenbluth–MacDonald–Judd (RMJ) form. The Rosenbluth potentials may be obtained either by direct integration or by solving partial differential equations (PDEs) similar to Poisson's equation: we optimise for performance and scalability by using sparse matrices to solve the relevant PDEs. We represent the distribution function using a tensor-product continuous-Galerkin finite-element representation and we derive and describe the implementation of the weak form of the collision operator. We present tests demonstrating a successful implementation using an explicit time integrator and we comment on the speed and accuracy of the operator. Finally, we speculate on the potential for applications in the current and next generation of kinetic plasma models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A Poisson–Nernst–Planck Model of Ion Transport and Interface Segregation in Metal–Insulator–Semiconductor Structures and Solar Cells

A numerical model that describes the transport of mobile ionic species in metal–insulator–semiconductor (MIS) and photovoltaic (PV) devices subject to temperature and voltage stress is presented. The finite element method (FEM) is used to solve the Nernst–Planck equation while imposing Poisson's equation self-consistently as a restriction for the electrostatic potential. This allows the contribution of the ionic species to the potential to be taken into account. Using a variational formulation eases the implementation of diverse boundary conditions, including the incorporation of segregation kinetics at the device interfaces. Segregation across the dielectric–semiconductor interface is relevant to modeling the electronic device degradation in systems where contamination reaches the semiconductor. The model in closed systems with no-flux boundary conditions is validated first. In the limiting case of low contamination levels with respect to the gate bias, the FEM solution matches analytically derived approximations. Then, the implementation is broadened to include an open boundary at the dielectric–semiconductor interface to account for leakage of ions. The predicted time dependence of the flatband voltage in Na-contaminated MIS test structures agrees well with measurements. This model successfully captures the role of long-range ion transport at concentrations of relevance to electronic and PV device instability and neuromorphic computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Local reduced-order modeling for electrostatic plasmas by physics-informed solution manifold decomposition

Despite advancements in high-performance computing and modern numerical algorithms, computational cost remains prohibitive for multi-query kinetic plasma simulations. Here, in this work, we develop data-driven reduced-order models (ROMs) for collisionless electrostatic plasma dynamics, based on the kinetic Vlasov-Poisson equation. Our ROM approach projects the equation onto a linear subspace defined by the proper orthogonal decomposition (POD) modes. We introduce an efficient tensorial method to update the nonlinear term using a precomputed third-order tensor. We capture multiscale behavior with a minimal number of POD modes by decomposing the solution manifold into multiple time windows and creating temporally local ROMs. We consider two strategies for decomposition: one based on the physical time and the other based on the electric field energy. Applied to the 1D1V Vlasov–Poisson simulations, that is, prescribed E-field, Landau damping, and two-stream instability, we demonstrate that our ROMs accurately capture the total energy of the system both for parametric and time extrapolation cases. The temporally local ROMs are more efficient and accurate than the single ROM. In addition, in the two-stream instability case, we show that the energy-windowing reduced-order model (EW-ROM) is more efficient and accurate than the time-windowing reduced-order model (TW-ROM). With the tensorial approach, EW-ROM solves the equation approximately 90 times faster than Eulerian simulations while maintaining a maximum relative error of 7.5% for the training data and 11% for the testing data.

Electrostatic plasmas↗
DOE OSTI2022

Asymptotic preserving methods for fluid electron-fluid models in the large magnetic field limit with mathematically guaranteed properties (Final Report)

The current manuscript is a final report on the activities carried out under the Project LDRD-CIS #226834. In scientific terms, the work reported in this manuscript is a continuation of the efforts started with Project LDRD-express #223796 with final report of activities SAND2021-11481, see [83]. In this section we briefly explain what pre-existing developments motivated the current body of work and provide an overview of the activities developed with the funds provided. The overarching goal of the current project LDRD-CIS #226834 and the previous project LDRD-express #223796 is the development of numerical methods with mathematically guaranteed properties in order to solve the Euler-Maxwell system of plasma physics and generalizations thereof. Even though Project #223796 laid out general foundations of space and time discretization of Euler-Maxwell system, overall, it was focused on the development of numerical schemes for purely electrostatic fluid-plasma models. In particular, the project developed a family of schemes with mathematically guaranteed robustness in order to solve the Euler-Poisson model. This model is an asymptotic limit where only electrostatic response of the plasma is considered. Its primary feature is the presence of a non-local force, the electrostatic force, which introduces effects with infinite speed propagation into the problem. Even though instantaneous propagation of perturbations may be considered nonphysical, there are plenty of physical regimes of technical interest where such an approximation is perfectly valid.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Facile and quantitative estimation of strain in nanobubbles with arbitrary symmetry in 2D semiconductors verified using hyperspectral nano-optical imaging

When layers of van der Waals materials are deposited via exfoliation or viscoelastic stamping, nanobubbles are sometimes created from aggregated trapped fluids. Though they can be considered a nuisance, nanobubbles have attracted scientific interest in their own right owing to their ability to generate large in-plane strain gradients that lead to rich optoelectronic phenomena, especially in the semiconducting transition metal dichalcogenides. Determination of the strain within the nanobubbles, which is crucial to understanding these effects, can be approximated using elasticity theory. However, the Föppl–von Kármán equations that describe strain in a distorted thin plate are highly nonlinear and often necessitate assuming circular symmetry to achieve an analytical solution. Here, we present an easily implemented numerical method to solve for strain tensors of nanobubbles with arbitrary symmetry in 2D crystals. The method only requires topographic information from atomic force microscopy and the Poisson ratio of the 2D material. We verify that this method reproduces the strain for circularly symmetric nanobubbles that have known analytical solutions. Finally, we use the method to reproduce the Grüneisen parameter of the E' mode for 1L-WS2 nanobubbles on template-stripped Au by comparing the derived strain with measured Raman shifts from tip-enhanced Raman spectroscopy, demonstrating the utility of our method for estimating localized strain in 2D crystals.

2D materials↗
NASA NTRS2004

Network Theory: A Primer and Questions for Air Transportation Systems Applications

A new understanding (with potential applications to air transportation systems) has emerged in the past five years in the scientific field of networks. This development emerges in large part because we now have a new laboratory for developing theories about complex networks: The Internet. The premise of this new understanding is that most complex networks of interest, both of nature and of human contrivance, exhibit a fundamentally different behavior than thought for over two hundred years under classical graph theory. Classical theory held that networks exhibited random behavior, characterized by normal, (e.g., Gaussian or Poisson) degree distributions of the connectivity between nodes by links. The new understanding turns this idea on its head: networks of interest exhibit scale-free (or small world) degree distributions of connectivity, characterized by power law distributions. The implications of scale-free behavior for air transportation systems include the potential that some behaviors of complex system architectures might be analyzed through relatively simple approximations of local elements of the system. For air transportation applications, this presentation proposes a framework for constructing topologies (architectures) that represent the relationships between mobility, flight operations, aircraft requirements, and airspace capacity, and the related externalities in airspace procedures and architectures. The proposed architectures or topologies may serve as a framework for posing comparative and combinative analyses of performance, cost, security, environmental, and related metrics.

Holmes, Bruce J.↗
NASA NTRS2008

Mitigating Photon Jitter in Optical PPM Communication

A theoretical analysis of photon-arrival jitter in an optical pulse-position-modulation (PPM) communication channel has been performed, and now constitutes the basis of a methodology for designing receivers to compensate so that errors attributable to photon-arrival jitter would be minimized or nearly minimized. Photon-arrival jitter is an uncertainty in the estimated time of arrival of a photon relative to the boundaries of a PPM time slot. Photon-arrival jitter is attributable to two main causes: (1) receiver synchronization error [error in the receiver operation of partitioning time into PPM slots] and (2) random delay between the time of arrival of a photon at a detector and the generation, by the detector circuitry, of a pulse in response to the photon. For channels with sufficiently long time slots, photon-arrival jitter is negligible. However, as durations of PPM time slots are reduced in efforts to increase throughputs of optical PPM communication channels, photon-arrival jitter becomes a significant source of error, leading to significant degradation of performance if not taken into account in design. For the purpose of the analysis, a receiver was assumed to operate in a photon- starved regime, in which photon counts follow a Poisson distribution. The analysis included derivation of exact equations for symbol likelihoods in the presence of photon-arrival jitter. These equations describe what is well known in the art as a matched filter for a channel containing Gaussian noise. These equations would yield an optimum receiver if they could be implemented in practice. Because the exact equations may be too complex to implement in practice, approximations that would yield suboptimal receivers were also derived.

Moision, Bruce↗
DOE OSTI2024

Inferring Stochastic Rates from Heterogeneous Snapshots of Particle Positions

Many imaging techniques for biological systems—like fixation of cells coupled with fluorescence microscopy—provide sharp spatial resolution in reporting locations of individuals at a single moment in time but also destroy the dynamics they intend to capture. In this study, these snapshot observations contain no information about individual trajectories, but still encode information about movement and demographic dynamics, especially when combined with a well-motivated biophysical model. The relationship between spatially evolving populations and single-moment representations of their collective locations is well-established with partial differential equations (PDEs) and their inverse problems. However, experimental data is commonly a set of locations whose number is insufficient to approximate a continuous-in-space PDE solution. Here, motivated by popular subcellular imaging data of gene expression, we embrace the stochastic nature of the data and investigate the mathematical foundations of parametrically inferring demographic rates from snapshots of particles undergoing birth, diffusion, and death in a nuclear or cellular domain. Toward inference, we rigorously derive a connection between individual particle paths and their presentation as a Poisson spatial process. Using this framework, we investigate the properties of the resulting inverse problem and study factors that affect quality of inference. One pervasive feature of this experimental regime is the presence of cell-to-cell heterogeneity. Rather than being a hindrance, we show that cell-to-cell geometric heterogeneity can increase the quality of inference on dynamics for certain parameter regimes. Altogether, the results serve as a basis for more detailed investigations of subcellular spatial patterns of RNA molecules and other stochastically evolving populations that can only be observed for single instants in their time evolution.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1971

Expansion of the planetary disturbing function.

Some methods are described for the expansion of the disturbing function in planetary theory. One method uses the classical binomial expansion theorem or a successive approximation process derived from it. Another method is a direct application of the Laplace series expansions. For both methods it is proposed to first prepare the series to be manipulated by a scaling operation. These methods can be applied either in a literal or in a numerical form, or any combination of both, but they are especially designed for use on a large scale digital computer with standard Poisson series programs. No usage is made of Newcomb operators or derivatives of Laplace coefficients.

Broucke, R.↗
NASA NTRS2003

Validating NASA's Airborne Multikilohertz Microlaser Altimeter (Microaltimeter) by Direct Comparison of Data Taken Over Ocean City, Maryland Against an Existing Digital Elevation Model

NASA's Airborne Multikilohertz Microlaser Altimeter (Microaltimeter) is a scanning, photon-counting laser altimeter, which uses a low energy (less than 10 microJuoles), high repetition rate (approximately 10 kHz) laser, transmitting at 532 nm. A 14 cm diameter telescope images the ground return onto a segmented anode photomultiplier, which provides up to 16 range returns for each fire. Multiple engineering flights were made during 2001 and 2002 over the Maryland and Virginia coastal area, all during daylight hours. Post-processing of the data to geolocate the laser footprint and determine the terrain height requires post- detection Poisson filtering techniques to extract the actual ground returns from the noise. Validation of the instrument's ability to produce accurate terrain heights will be accomplished by direct comparison of data taken over Ocean City, Maryland with a Digital Elevation Model (DEM) of the region produced at Ohio State University (OSU) from other laser altimeter and photographic sources. The techniques employed to produce terrain heights from the Microaltimeter ranges will be shown, along with some preliminary comparisons with the OSU DEM.

Abel, Peter↗
NASA NTRS1994

Removing cosmic-ray hits from multiorbit HST Wide Field Camera images

We present an optimized algorithm that removes cosmic rays ('CRs') from multiorbit Hubble Space Telescope (HST) Wide Field/Planetary Camera ('WF/PC') images. It computes the image noise in every iteration from the WF/PC CCD equation. This includes all known sources of random and systematic calibration errors. We test this algorithm on WF/PC stacks of 2-12 orbits as a function of the number of available orbits and the formal Poissonian sigma-clipping level. We find that the algorithm needs greater than or equal 4 WF/PC exposures to locate the minimal sky signal (which is noticeably affected by CRs), with an optimal clipping level at 2-2.5 x sigma(sub Poisson). We analyze the CR flux detected on multiorbit 'CR stacks,' which are constructed by subtracting the best CR filtered images from the unfiltered 8-12 orbit average. We use an automated object finder to determine the surface density of CRS as a function of the apparent magnitude (or ADU flux) they would have generated in the images had they not been removed. The power law slope of the CR 'counts' (gamma approximately = 0.6 for N(m) m(exp gamma)) is steeper than that of the faint galaxy counts down to V approximately = 28 mag. The CR counts show a drop off between 28 less than or approximately V less than or approximately 30 mag (the latter is our formal 2 sigma point source sensitivity without spherical aberration). This prevents the CR sky integral from diverging, and is likely due to a real cutoff in the CR energy distribution below approximately 11 ADU per orbit. The integral CR surface density is less than or approximately 10(exp 8)/sq. deg, and their sky signal is V approximately = 25.5-27.0 mag/sq. arcsec, or 3%-13% of our NEP sky background (V = 23.3 mag/sq. arcsec), and well above the EBL integral of the deepest galaxy counts (B(sub J) approximately = 28.0 mag/sq. arcsec). We conclude that faint CRs will always contribute to the sky signal in the deepest WF/PC images. Since WFPC2 has approximately 2.7x lower read noise and a thicker CCD, this will result in more CR detections than in WF/PC, potentially affecting approximately 10%-20% of the pixels in multiorbit WFPC2 data cubes.

Windhorst, Rogier A.↗
NASA NTRS2001

A {1,2}-Order Plate Theory Accounting for Three-Dimensional Thermoelastic Deformations in Thick Composite and Sandwich Laminates

A {1,2}-order theory for laminated composite and sandwich plates is extended to include thermoelastic effects. The theory incorporates all three-dimensional strains and stresses. Mixed-field assumptions are introduced which include linear in-plane displacements, parabolic transverse displacement and shear strains, and a cubic distribution of the transverse normal stress. Least squares strain compatibility conditions and exact traction boundary conditions are enforced to yield higher polynomial degree distributions for the transverse shear strains and transverse normal stress through the plate thickness. The principle of virtual work is used to derive a 10th-order system of equilibrium equations and associated Poisson boundary conditions. The predictive capability of the theory is demonstrated using a closed-form analytic solution for a simply-supported rectangular plate subjected to a linearly varying temperature field across the thickness. Several thin and moderately thick laminated composite and sandwich plates are analyzed. Numerical comparisons are made with corresponding solutions of the first-order shear deformation theory and three-dimensional elasticity theory. These results, which closely approximate the three-dimensional elasticity solutions, demonstrate that through - the - thickness deformations even in relatively thin and, especially in thick. composite and sandwich laminates can be significant under severe thermal gradients. The {1,2}-order kinematic assumptions insure an overall accurate theory that is in general superior and, in some cases, equivalent to the first-order theory.

Tessler, A.↗
NASA NTRS1989

A dual potential formulation of the Navier-Stokes equations

A dual potential formulation for numerically solving the Navier-Stokes equations is developed and presented. The velocity field is decomposed using a scalar and vector potential. Vorticity and dilatation are used as the dependent variables in the momentum equations. Test cases in two dimensions verify the capability to solve flows using approximations from potential flow to full Navier-Stokes simulations. A three-dimensional incompressible flow formulation is also described. An interesting feature of this approach to solving the Navier-Stokes equations is the decomposition of the velocity field into a rotational part (vector potential) and an irrotational part (scalar potential). The Helmholtz decomposition theorem allows this splitting of the velocity field. This approach has had only limited use since it increases the number of dependent variables in the solution. However, it has often been used for incompressible flows where the solution scheme is known to be fast and accurate. This research extends the usage of this method to fully compressible Navier-Stokes simulations by using the dilatation variable along with vorticity. A time-accurate, iterative algorithm is used for the uncoupled solution of the governing equations. Several levels of flow approximation are available within the framework of this method. Potential flow, Euler and full Navier-Stokes solutions are possible using the dual potential formulation. Solution efficiency can be enhanced in a straightforward way. For some flows, the vorticity and/or dilatation may be negligible in certain regions (e.g., far from a viscous boundary in an external flow). It is possible to drop the calculation of these variables then and optimize the solution speed. Also, efficient Poisson solvers are available for the potentials. The relative merits of non-primitive variables versus primitive variables for solution of the Navier-Stokes equations are also discussed.

Gegg, S. G.↗
NASA NTRS2000

2D Quantum Mechanical Study of Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25, 50 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. Surprisingly, the self-consistent potential profile shows lower injection barrier in the channel in quantum case. These results are qualitatively consistent with ID Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗
DOE OSTI2025

Elastic constants in monocrystalline tungsten under quasi-hydrostatic pressures to 11.3 GPa

Compressional (P) and shear (S) wave velocities of tungsten single crystals along the [100] and [110] directions were measured using ultrasonic interferometry at room temperature up to 11.3 GPa. Least-squares fitting of $V$$^{[100]}_{P}$, $V$$^{[100]}_{S}$, $V$$^{[110]}_{P}$, and pressure to finite strain (FS) equations yields the elastic constants: C 11 = 523.5(5) GPa, C 12 = 205.1(32) GPa, and C 44 = 160.8(4) GPa, along with their respective pressure derivatives: $C$$^{′}_{11}$ = 6.20(2), $C$$^{′}_{12}$ = 3.35(1), and $C$$^{′}_{44}$ = 1.65(6). Using the Voigt–Reuss–Hill approximation, the elastic moduli were derived as K S0 = 311.2(22) GPa and G 0 = 160.2(7)GPa, along with their respective pressure derivatives: $K$$^{′}_{S0}$ = 4.30(4) and $G$$^{′}_{0}$ = 1.56(1). The Debye temperature of tungsten was determined to be 380.7(8) K, showing good agreement with previous calorimetric measurements. The elastic anisotropy increases slightly from 1.01(1) at ambient pressure to 1.03(1) at 11.3 GPa, suggesting that tungsten remains nearly isotropic under compression. Poisson's ratio slightly increased from 0.281(3) to 0.288(3) with pressure. Additionally, Pugh's ratio decreased from 0.512(4) to 0.494(4), while Pettifor's ratio increased from 0.148(10) to 0.175(10) as pressure reached 11.3 GPa. These results suggest that tungsten is weakly ductile compared to the critical thresholds for ductile behavior (i.e., Pugh's ratio <0.6 and Pettifor's ratio >0, indicating ductile behavior), but that its ductility increases marginally under pressure.

Wang, Ran [Stony Brook University, NY (United Stat↗