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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.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Random Dopant Induced Threshold Voltage Lowering and Fluctuations in Sub 50 nm MOSFETs: a Statistical 3D 'Atomistic' Simulation Study

A 3D 'atomistic' simulation study of random dopant induced threshold voltage fluctuations and lowering in sub 50 nm MOSFETs is presented. The attention is focused mainly on devices with 30 nm effective channel length which represent the expected level of scaling at the end of the Silicon Roadmap. An efficient algorithm, based on a single 3D ap solution of the Poisson equation and a simplified current continuity equation, is used in the simulations. Large samples of microscopically different devices (typically 200) arc used in order to obtain statistically reliable results. The influence of different aspects of the conventional MOSFET design on the threshold voltage fluctuations and lowering are investigated. Results for fluctuation resistant device architectures based on low-doped epitaxial channel MOSFETs are also presented.

Asenov, Asen↗
NASA NTRS2001

Computer Simulation of the Forces Acting on a Submerged Polystyrene Probe as it Approaches the Succinonitrile Melt-Solid Interface

A Modeling approach to simulate both mesoscale and microscopic forces acting in a typical AFM experiment is presented. A mesoscale level interaction between the cantilever tip and the sample surface is primarily described by the balance of attractive Van der Waals and repulsive forces. Ultimately, the goal is to measure the forces between a particle and the crystal-melt interface. Two modes of AFM operation are considered in this paper - a stationary and a "tapping" one. The continuous mechanics approach to model tip-surface interaction is presented. At microscopic levels, tip contamination and details of tip-surface interaction are modeled using a molecular dynamics approach for the case of polystyrene - succinonitrile contact. Integration of the mesoscale model with a molecular dynamic model is discussed.

Bune, Andris V.↗
NASA NTRS2013

Development of the Code RITRACKS

A document discusses the code RITRACKS (Relativistic Ion Tracks), which was developed to simulate heavy ion track structure at the microscopic and nanoscopic scales. It is a Monte-Carlo code that simulates the production of radiolytic species in water, event-by-event, and which may be used to simulate tracks and also to calculate dose in targets and voxels of different sizes. The dose deposited by the radiation can be calculated in nanovolumes (voxels). RITRACKS allows simulation of radiation tracks without the need of extensive knowledge of computer programming or Monte-Carlo simulations. It is installed as a regular application on Windows systems. The main input parameters entered by the user are the type and energy of the ion, the length and size of the irradiated volume, the number of ions impacting the volume, and the number of histories. The simulation can be started after the input parameters are entered in the GUI. The number of each kind of interactions for each track is shown in the result details window. The tracks can be visualized in 3D after the simulation is complete. It is also possible to see the time evolution of the tracks and zoom on specific parts of the tracks. The software RITRACKS can be very useful for radiation scientists to investigate various problems in the fields of radiation physics, radiation chemistry, and radiation biology. For example, it can be used to simulate electron ejection experiments (radiation physics).

Plante, Ianik↗
NASA NTRS1987

Transition at hypersonic speeds

Certain conjectures on the physics of instabilities in high-speed flows are discussed and the state of knowledge of hypersonic transition summarized. The case is made for an unpressured systematic research program in this area consisting of controlled microscopic experiments, theory, and numerical simulations.

Morkovin, Mark V.↗
NASA NTRS1999

Measurement of Temperature Fluctuations and Microscopic Growth Rates in a Silicon Floating Zone Under Microgravity

USA Several microgravity experiments on sounding rockets and the Space Shuttle have shown that time-dependent thermocapillary (Marangoni) convection is the major cause for the formation of dopant striations in floating-zone grown semiconductor crystals, at least in small-scale systems not employing RF heating. To quantify this correlation, a silicon floating-zone experiment was performed during the TEXUS36 flight (February 7, 1998) in the monoellipsoid mirror furnace TEM02-ELLI. During the experiment, temperature fluctuations in the silicon melt zone and the microscopic growth rate were simultaneously measured. Temperature fluctuations of 0.5 C - 0.7 C with main frequencies between 0.1 Hz and 0.3 Hz were detectable. The microscopic growth rate fluctuated considerably around the average growth rate of 1 mm/min: rates from 4 mm/min to negative values (backmelting) were observed. Dopant striations are clearly visible in the Sb-doped crystal. They were characterized by Spreading Resistance measurements and Differential Interference Contrast microscopy. The frequencies associated with the dopant inhomogeneities correspond quite well with those of the temperature fluctuations and microscopic growth rates. 3D numerical simulations were performed to predict the optimum position of the temperature sensor, to evaluate characteristic temperature amplitudes and frequencies, and to give insight into the instability mechanisms of Marangoni convection in this configuration. The simulations were in good agreement with the experimental values, showing temperature fluctuations with frequencies ? 0.25 Hz and amplitudes up to 1.8 C at a position equivalent to that of the sensor tip in the experiment.

Croell, Arne↗
NASA NTRS1999

Measurement of Temperature Fluctuations and Microscopic Growth Rates in a Silicon Floating Zone on TEXUS36

Several pg experiments on sounding rockets and the Space Shuttle have shown that time-dependent thermocapillary (Marangoni) convection is the major cause for the formation of dopant striations in floating-zone grown semiconductor crystals, at least in small-scale systems not employing RF heating. To quantify this correlation, a silicon floating-zone experiment was performed during the TEXUS36 flight (February 7, 1 998) in the monoellipsoid mirror furnace TEM02-ELLI. During the experiment, temperature fluctuations in the silicon melt zone and the microscopic growth rate were simultaneously measured. Temperature fluctuations of 0.5 C - 0.7 C with main frequencies between 0.1 Hz and 0.3Hz were detectable. The microscopic growth rate fluctuated considerably around the average growth rate of 1 mm/min: rates from 4mm/min to negative values (backmelting) were observed. Dopant striations are clearly visible in the Sb-doped crystal. They were characterized by Spreading Resistance measurements and Differential Interference Contrast microscopy. The frequencies associated with the dopant inhomogeneities correspond quite well with those of the temperature fluctuations and microscopic growth rates. 3D numerical simulations were performed to predict the optimum position of the temperature sensor, to evaluate characteristic temperature amplitudes and frequencies, and to give insight into the instability mechanisms of Marangoni convection in this configuration. The simulations were in good agreement with the experimental values, showing temperature fluctuations with frequencies? 0.25 Hz and amplitudes up to 1.8 C at a position equivalent to that of the sensor tip in the experiment.

Croell, Arne↗
NASA NTRS1999

Measurement of Temperature Fluctuations and Microscopic Growth Rates in a Silicon Floating Zone on TEXUS36

Several earlier (micro)g experiments have shown that time-dependent thermocapillary (Marangoni) convection is the major cause for the formation of dopant striations in floating-zone grown semiconductor crystals, at least in small-scale systems not employing RF heating. To quantify this correlation, a silicon floating-zone experiment was performed on the TEXUS36 flight (February 7, 1 998) in the monoellipsoid mirror furnace TEM02-ELLI. During the experiment, temperature fluctuations in the silicon melt zone and the microscopic growth rate were simultaneously measured. Temperature fluctuations of 0.5 C - 0.7 C with main frequencies between 0.1 Hz and 0.3 Hz were detectable. The microscopic growth rate fluctuated considerably around the average growth rate of 1 mm/min: rates from 4mm/min to negative values (backmelting) were observed. Dopant striations are clearly visible in the Sb-doped crystal. The frequencies associated with the dopant inhomogeneities correspond quite well with those of the temperature fluctuations and microscopic growth rates. 3D numerical simulations were performed to predict the optimum position of the temperature sensor, to evaluate characteristic temperature amplitudes and frequencies, and to give insight into the instability mechanisms of Maran-goni convection in this configuration. The simulations were in good agreement with the experimental values, showing temperature fluctuations with frequencies f? 0.25 Hz and amplitudes up to 1.8 C at a position equivalent to that of the sensor tip in the experiment.

Croell, Arne↗
NASA NTRS2010

Examining the Uppermost Surface of the Lunar Regolith

This slide presentation reviews the examination of the uppermost surface of the lunar regolith. It shows the mechanism (i.e. a Clam Shell Sampling Device) that was used to retrieve samples of the surface of the lunar soil. Samples were obtained from the devices, and they were examined in the scanning electron microscope (SEM). Using a lunar simulant, JSC-1a, test were run to ascertain if the sample from the clam shell device were biased due to the collection. The results of the test were that all the fine grains analyzed to the limit of the capabilities were found to be lunar in composition, though non-lunar contaminants may exist in the submicron population. Further work is required, though the initial study shows that the uppermost surface is enriched in fine (< 2 micron grains) compared to the bulk soil.

Noble, Sarah↗
NASA NTRS2011

Theory and Simulations of Solar System Plasmas

"Theory and simulations of solar system plasmas" aims to highlight results from microscopic to global scales, achieved by theoretical investigations and numerical simulations of the plasma dynamics in the solar system. The theoretical approach must allow evidencing the universality of the phenomena being considered, whatever the region is where their role is studied; at the Sun, in the solar corona, in the interplanetary space or in planetary magnetospheres. All possible theoretical issues concerning plasma dynamics are welcome, especially those using numerical models and simulations, since these tools are mandatory whenever analytical treatments fail, in particular when complex nonlinear phenomena are at work. Comparative studies for ongoing missions like Cassini, Cluster, Demeter, Stereo, Wind, SDO, Hinode, as well as those preparing future missions and proposals, like, e.g., MMS and Solar Orbiter, are especially encouraged.

Goldstein, Melvyn L.↗
NASA NTRS2017

Orion Exploration Flight Test Post-Flight Inspection and Analysis

The principal mechanism for developing orbital debris environment models, is to make observations of larger pieces of debris in the range of several centimeters and greater using radar and optical techniques. For particles that are smaller than this threshold, breakup and migration models of particles to returned surfaces in lower orbit are relied upon to quantify the flux. This reliance on models to derive spatial densities of particles that are of critical importance to spacecraft make the unique nature of the EFT-1's return surface a valuable metric. To this end detailed post-flight inspections have been performed of the returned EFT-1 backshell, and the inspections identified six candidate impact sites that were not present during the pre-flight inspections. This paper describes the post-flight analysis efforts to characterize the EFT-1 mission craters. This effort included ground based testing to understand small particle impact craters in the thermal protection material, the pre- and post-flight inspection, the crater analysis using optical, X-ray computed tomography (CT) and scanning electron microscope (SEM) techniques, and numerical simulations.

Miller, J. E.↗
DOE OSTI2024

Deuteration removes quantum dipolar defects from KDP crystals

Abstract Dielectric properties of the hydrogen-bonded ferroelectric crystal KH 2 PO 4 (KDP) differ significantly from those of KD 2 PO 4 (DKDP). It is well established that deuteration affects the interplay of hydrogen-bond switches and heavy ion displacements that underlie the emergence of macroscopic polarization, but a detailed microscopic model is missing. We show that all-atom path integral molecular dynamics simulations can predict the isotope effects, revealing the microscopic mechanism that differentiates KDP and DKDP. Proton tunneling generates phosphate configurations that do not contribute to the polarization. At low temperatures, these quantum dipolar defects are substantial in KDP but negligible in DKDP. These intrinsic defects explain why KDP has lower spontaneous polarization and transition entropy than DKDP. The prominent role of quantum fluctuations in KDP is related to the unusual strength of the hydrogen bonds and should be equally important in other crystals of the KDP family, which exhibit similar isotope effects.

Yang, Bingjia (ORCID:0000000340749553)↗
NASA NTRS2006

Microstructural Study of Micron-Sized Craters Simulating Stardust Impacts in Aluminum 1100 Targets

Various microscopic techniques were used to characterize experimental micro- craters in aluminium foils to prepare for the comprehensive analysis of the cometary and interstellar particle impacts in aluminium foils to be returned by the Stardust mission. First, SEM (Scanning Electron Microscopy) and EDS (Energy Dispersive X-ray Spectroscopy) were used to study the morphology of the impact craters and the bulk composition of the residues left by soda-lime glass impactors. A more detailed structural and compositional study of impactor remnants was then performed using TEM (Transmission Electron Microscopy), EDS, and electron diffraction methods. The TEM samples were prepared by Focused Ion Beam (FIB) methods. This technique proved to be especially valuable in studying impact crater residues and impact crater morphology. Finally, we also showed that InfraRed microscopy (IR) can be a quick and reliable tool for such investigations. The combination of all of these tools enables a complete microscopic characterization of the craters.

Leroux, Hugues↗
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↗
NASA NTRS2014

RITRACKS: A Software for Simulation of Stochastic Radiation Track Structure, Micro and Nanodosimetry, Radiation Chemistry and DNA Damage for Heavy Ions

The code RITRACKS (Relativistic Ion Tracks) has been developed over the last few years at the NASA Johnson Space Center to simulate the effects of ionizing radiations at the microscopic scale, to understand the effects of space radiation at the biological level. The fundamental part of this code is the stochastic simulation of radiation track structure of heavy ions, an important component of space radiations. The code can calculate many relevant quantities such as the radial dose, voxel dose, and may also be used to calculate the dose in spherical and cylindrical targets of various sizes. Recently, we have incorporated DNA structure and damage simulations at the molecular scale in RITRACKS. The direct effect of radiations is simulated by introducing a slight modification of the existing particle transport algorithms, using the Binary‐Encounter‐Bethe model of ionization cross sections for each molecular orbitals of DNA. The simulation of radiation chemistry is done by a step‐by‐step diffusion‐reaction program based on the Green's functions of the diffusion equation]. This approach is also used to simulate the indirect effect of ionizing radiation on DNA. The software can be installed independently on PC and tablets using the Windows operating system and does not require any coding from the user. It includes a Graphic User Interface (GUI) and a 3D OpenGL visualization interface. The calculations are executed simultaneously (in parallel) on multiple CPUs. The main features of the software will be presented.

Plante, I↗
DOE OSTI2026

Controlling Deformation in Al/Ti: How Interface Roughness and Orientation Drive Bimetal Mechanics

The microstructural characteristics and morphology of interfaces in metals can be crucial in governing the initiation of plasticity and early deformation mechanisms under extreme conditions. During high-strain-rate deformation, these interfaces significantly affect dislocation nucleation, twinning, and other mechanisms that directly impact material strength and failure. Despite their importance, a substantial knowledge gap remains between the observed macroscopic material behavior and the underlying role of bimetal interfaces in plasticity initiation. Here, to address this gap, large-scale molecular dynamics simulations are performed on Al/Ti bimetal structures to examine the effect of interface characteristics on the onset of plasticity under uniaxial compression. Specifically, this study investigates how interface roughness (flat vs waveform interfaces) modifies the initiation of plastic events in the microstructure. Atomistic simulations indicate that interface roughness (a microscopic behavior) reduces the stress required for dislocation nucleation, thereby reducing the peak stress relative to a flat interface. For the square interface, the step height strongly influences plasticity initiation by setting the separation of locally flat regions. Varying the interface rotation relative to the loading direction (macroscopic behavior) reveals that the peak stress for both flat and waveform interfaces initially decreases and then increases with rotation, accompanied by a shift in dominant mechanisms—from Al twinning (flat) to interface sliding and Ti-dominated phase transformation and twinning at lower angles. The change in the stress-strain slope during initial compression reflects how rotation alters the resolved shear stress and activates different slip systems. Overall, the study provides valuable insights into the role of bimetal interfaces in controlling plasticity initiation and early deformation pathways for Al/Ti under extreme loading conditions.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Snow water equivalent determination by microwave radiometry

One of the most important parameters for accurate snowmelt runoff prediction is snow water equivalent (SWE) which is contentionally monitored using observations made at widely scattered points in or around specific watersheds. Remote sensors which provide data with better spatial and temporal coverage can be used to improve the SWE estimates. Microwave radiation, which can penetrate through a snowpack, may be used to infer the SWE. Calculations made from a microscopic scattering model were used to simulate the effect of varying SWE on the microwave brightness temperature. Data obtained from truck mounted, airborne and spaceborne systems from various test sites were studied. The simulated SWE compares favorable with the measured SWE. In addition, whether the underlying soil is frozen or thawed can be discriminated successfully on the basis of the polarization of the microwave radiation.

Chang, A. T. C.↗
NASA NTRS1991

AMTEC cell testing, optimization of rhodium/tungsten electrodes, and tests of other components

Electrodes, current collectors, ceramic to metal braze seals, and metallic components exposed to the high 'hot side' temperatures and sodium liquid and vapor environment have been tested and evaluated in laboratory cells running for hundreds of hours at 1100-1200 K. Rhodium/tungsten electrodes have been selected as the optimum electrodes based on performance parameters and durability. Current collectors have been evaluated under simulated and actual operating conditions. The microscopic effects of metal migration between electrode and current collector alloys as well as their thermal and electrical properties determined the suitability of current collector and lead materials. Braze seals suitable for long term application to AMTEC devices are being developed.

Williams, Roger M.↗
DOE OSTI2025

Using machine learning to jointly harness the strength of microscopic, fundamental-science driven and macroscopic, application-driven experiments

The PARADIGM project aims at accelerating progress in science by quantitatively answering the following question: What is the optimal combination of fundamental-science and application driven experiments to maximally reduce pertinent data uncertainties? Hence, we are bridging between microscopic experiments and data, and macroscopic simulations and experiments. Answering this question entails solving a high-dimensional and complex optimization problem which we solve with machine learning techniques.

LANSCE↗