Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “dimensional changes”

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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Evolution of nanopores in hexagonal boron nitride

Abstract The engineering of atomically-precise nanopores in two-dimensional materials presents exciting opportunities for both fundamental science studies as well as applications in energy, DNA sequencing, and quantum information technologies. The exceptional chemical and thermal stability of hexagonal boron nitride (h-BN) suggest that exposed h-BN nanopores will retain their atomic structure even when subjected to extended periods of time in gas or liquid environments. Here we employ transmission electron microscopy to examine the time evolution of h-BN nanopores in vacuum and in air and find, even at room temperature, dramatic geometry changes due to atom motion and edge contamination adsorption, for timescales ranging from one hour to one week. The discovery of nanopore evolution contrasts with general expectations and has profound implications for nanopore applications of two-dimensional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Two-dimensional non-equilibrium melting of charged colloids

Thermodynamic two-dimensional melting has been extensively studied in experiments and simulations, and is well predicted by theory. For systems in equilibrium, this transition is well described by the Kosterlitz–Thouless–Halperin–Nelson–Young theory, where melting is directly linked to the unbinding of topological defects. For driven, non-equilibrium melting and other non-equilibrium phase transitions, the picture is less clear. Here, in this work, we study the two-dimensional melting of a crystal of charged colloids. By randomly replacing some charged colloids with magnetic colloids, we can melt our system by rotating a fraction of the particles to create non-equilibrium, hydrodynamic random flows and local stresses. We can also melt it thermally by changing the particle number density. We find that an effective temperature approach cannot explain the results of our driven system. Rather, in both experiments and simulations, we observe that plotting the hexatic order parameter and the hexatic correlation’s exponent versus the density of disclinations and dislocations, respectively, yields universal curves. This implies that in our systems, two-dimensional melting depends directly on the density of topological defects and is independent of whether thermal or non-equilibrium forces generate them.

critical phenomena↗
DOE OSTI2022

Evolution of Bonding and Magnetism via Changes in Valence Electron Count in CuFe 2– x Co x Ge 2

A series of solid solutions, CuFe 2–x Co x Ge 2 (x = 0, 0.2, 0.4, 0.8, and 1.0), have been synthesized by arc-melting and characterized by powder X-ray and neutron diffraction, magnetic measurements, Mössbauer spectroscopy, and electronic band structure calculations. All compounds crystallize in the CuFe 2 Ge 2 structure type, which can be considered as a three-dimensional framework built of fused MGe6 octahedra and MGe 5 trigonal bipyramids (M = Fe and Co), with channels filled by rows of Cu atoms. As the Co content (x) increases, the unit cell volume decreases in an anisotropic fashion: the b and c lattice parameters decrease while the a parameter increases. The changes in all the parameters are nearly linear, thus following Vegard’s law. CuFe 2 Ge 2 exhibits two successive antiferromagnetic (AFM) orderings, corresponding to the formation of a commensurate AFM structure, followed by an incommensurate AFM structure observed at lower temperatures. Additionally, as the Co content increases, the AFM ordering temperature (TN) gradually decreases, and only one AFM transition is observed for x ≥ 0.2. The magnetic behavior of unsubstituted CuFe 2 Ge 2 was found to be sensitive to the preparation method. The temperature-dependent zero-field 57 Fe Mössbauer spectra reveal two hyperfine split components that evolve in agreement with the two consecutive AFM orderings observed in magnetic measurements. In contrast, the field-dependent spectra obtained for fields ≥ 2 T reveal a parallel arrangement of the moments associated with the two crystallographically unique metal sites. Electronic band structure calculations and chemical bonding analysis reveal a mix of strong M–M antibonding and non-bonding states at the Fermi level, in support of the overall AFM ordering observed in zero field. The substitution of Co for Fe reduces the population of the M–M antibonding states and the overall density of states at the Fermi level, thus suppressing the T N value.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Use of TOPSAR digital elevation data to determine the 3-dimensional shape of an alluvial fan

Landforms in arid regions record the interplay between tectonic forces and climate. Alluvial fans are a common landform in desert regions where the rate of uplift is greater than weathering or sedimentation. Changes in uplift rate or climatic conditions can lead to isolation of the currently forming fan surface through entrenchment and construction of another fan either further from the mountain front (decreased uplift or increased runoff) or closer to the mountain front (increased uplift or decreased runoff). Thus, many alluvial fans are made up of a mosaic of fan units of different age, some older than 1 million years. For this reason, determination of the stages of fan evolution can lead to a history of uplift and runoff. In an attempt to separate the effects of tectonic (uplift) and climatic (weathering, runoff, sedimentation) processes on the shapes of alluvial fan units, a modified conic equation developed by Troeh (1965) was fitted to TOPSAR digital topographic data for the Trail Canyon alluvial fan in Death Valley, California. This allows parameters for the apex position, slope, and radial curvature to be compared with unit age.

Farr, Tom G.↗
NASA NTRS2003

Towards the Structure Determination of a Modulated Protein Crystal: The Semicrystalline State of Profilin:Actin

One of the remaining challenges to structural biology is the solution of modulated structures. While small molecule crystallographers have championed this type of structure, to date, no modulated macromolecular structures have been determined. Modulation of the molecular structures within the crystal can produce satellite reflections or a superlattice of reflections in reciprocal space. We have developed the data collection methods and strategies that are needed to collect and analyze these data. If the macromolecule's crystal lattice is composed of physiologically relevant packing contacts, structural changes induced under physiological conditions can cause distortion relevant to the function and biophysical processes of the molecule making up the crystal. By careful measurement of the distortion, and the corresponding three-dimensional structure of the distorted molecule, we will visualize the motion and mechanism of the biological macromolecule(s). We have measured the modulated diffraction pattern produced by the semicrystalline state of profilin:actin crystals using highly parallel and highly monochromatic synchrotron radiation coupled with fine phi slicing (0.001-0.010 degrees) for structure determination. These crystals present these crystals present a unique opportunity to address an important question in structural biology. The modulation is believed to be due to the formation of actin helical filaments from the actin beta ribbon upon the pH-induced dissociation of profilin. To date, the filamentous state of actin has resisted crystallization and no detailed structures are available. The semicrystalline state profilin:actin crystals provides a unique opportunity to understand the many conformational states of actin. This knowledge is essential for understanding the dynamics underlying shape changes and motility of eukaryotic cells. Many essential processes, such as cytokinesis, phagocytosis, and cellular migration depend upon the capacity of the actin microfilament system to be restructured in a controlled manner via polymerization, depolymerization, severing, cross-linking, and anchorage. The structure the semicrystalline state of profilin:actin will challenge and validate current models of muscle contraction and cell motility. The methodology and theory under development will be easily extendable to other systems.

Borgstahl, G.↗
NASA NTRS2003

A Model Study of the Impact of Magnetic Field Reversal on Atmospheric Composition during Solar Proton Events

During a polarity transition of the Earth's magnetic field, the structure and strength of the field change significantly from their present values. This will alter the global pattern of charged particle precipitation into the atmosphere. Thus, particle precipitation is possible into regions that are at the moment effectively shielded by the Earth's magnetic field. A two-dimensional global fbHy coupled chemistry, radiation, and transport model of the atmosphere has been used to investigate how the increased particle precipitation affects the chemical composition of the middle and lower atmosphere. Ozone losses resulting from large energetic particle events are found to increase significantly, with resultant losses similar to those observed m the Antarctic ozone hole of the 1990s. This results in significant increases in surface UV-B radiation as well as changes in stratospheric temperature and circulation over a period of several months after large particle events.

Sinnhuber, Miaiam↗
NASA NTRS2001

Spherical Ethylene/Air Diffusion Flames Subject to Concentric DC Electric Field in Microgravity

It is well known that microgravity conditions, by eliminating buoyant flow, enable many combustion phenomena to be observed that are not possible to observe at normal gravity. One example is the spherical diffusion flame surrounding a porous spherical burner. The present paper demonstrates that by superimposing a spherical electrical field on such a flame, the flame remains spherical so that we can study the interaction between the electric field and flame in a one-dimensional fashion. Flames are susceptible to electric fields that are much weaker than the breakdown field of the flame gases owing to the presence of ions generated in the high temperature flame reaction zone. These ions and the electric current of the moving ions, in turn, significantly change the distribution of the electric field. Thus, to understand the interplay between the electric field and the flame is challenging. Numerous experimental studies of the effect of electric fields on flames have been reported. Unfortunately, they were all involved in complex geometries of both the flow field and the electric field, which hinders detailed study of the phenomena. In a one-dimensional domain, however, the electric field, the flow field, the thermal field and the chemical species field are all co-linear. Thus the problem is greatly simplified and becomes more tractable.

Yuan, Z. -G.↗
DOE OSTI2019

Numerical investigation of spin excitations in a doped spin chain

We study the doping evolution of spin excitations in a one-dimensional (1D) Hubbard model and its downfolded spin Hamiltonians, by using exact diagonalization combined with cluster perturbation theory. In all models we observe hardening (softening) of spin excitations upon electron (hole) doping, which are reminiscent of recent experiments on two-dimensional (2D) cuprate materials. We also find that the three-site and even higher-order terms are crucial for the low-energy effective spin models to reproduce the magnetic spectra of doped Hubbard systems at a quantitative level. To interpret the numerical results, we further employ a strong coupling slave-boson mean-field theory. The mean-field theory provides an intuitive understanding of the overall compact support of dynamic spin structure factors, including the shift of zero-energy modes and change of spin excitation bandwidth with doping. Our results can serve as predictive benchmarks for future inelastic x-ray or neutron scattering experiments on doped 1D antiferromagnetic Mott insulators.

Pärschke, Ekaterina M.↗
NASA NTRS1995

Grid generation and surface modeling for CFD

When computing the flow around complex three dimensional configurations, the generation of the mesh is the most time consuming part of any calculation. With some meshing technologies this can take of the order of a man month or more. The requirement for a number of design iterations coupled with ever decreasing time allocated for design leads to the need for a significant acceleration of this process. Of the two competing approaches, block-structured and unstructured, only the unstructured approach will allow fully automatic mesh generation directly from a CAD model. Using this approach coupled with the techniques described in this paper, it is possible to reduce the mesh generation time from man months to a few hours on a workstation. The desire to closely couple a CFD code with a design or optimization algorithm requires that the changes to the geometry be performed quickly and in a smooth manner. This need for smoothness necessitates the use of Bezier polynomials in place of the more usual NURBS or cubic splines. A two dimensional Bezier polynomial based design system is described.

Connell, Stuart D.↗
DOE OSTI2025

Dehumidification energy storage using a stratified liquid desiccant tank

Liquid desiccants can play an important role in reducing dehumidification energy requirements in the built environment. Because they are in a liquid state, the desiccant can be easily stored and then used to dehumidify buildings during peak energy consumption periods. By maintaining stratification between concentrated and diluted desiccant solutions, a single tank can be used to store liquid desiccant for energy storage purposes. Using a stratified tank instead of separate tanks for dilute and concentrated solutions will reduce storage costs and increase energy storage densities for liquid desiccant systems. This paper describes the experimental validation and one-dimensional modeling of a stratified liquid desiccant tank. The stratified tank prototype developed achieved 80 % of the theoretical energy storage density based on an imposed desiccant concentration change. Here, the stratified tank model was able to reasonably reproduce the experimental results. Using this model, the impact of varying operational conditions on the energy density of the stratified liquid desiccant energy storage was evaluated. Depending on the operating conditions, stratified liquid desiccant energy storage using aqueous LiCl up to 40 wt% can achieve energy storage densities in excess of 330 kWh/m 3 .

25 ENERGY STORAGE↗
DOE OSTI2025

Bounce-averaged theory in arbitrary multi-well plasmas: solution domains and the graph structure of their connections

Bounce-averaged theories provide a framework for simulating relatively slow processes, such as collisional transport and quasilinear diffusion, by averaging these processes over the fast periodic motions of a particle on a closed orbit. This procedure dramatically increases the characteristic time scale and reduces the dimensionality of the modelled system. The natural coordinates for such calculations are the constants of motion (COM) of the fast particle motion, which by definition do not change during an orbit. However, for sufficiently complicated fields – particularly in the presence of local maxima of the electric potential and magnetic field – the COM are not sufficient to specify the particle trajectory. In such cases, multiple domains in COM space must be used to solve the problem, with boundary conditions enforced between the domains to ensure continuity and particle conservation. Previously, these domains have been imposed by hand, or by recognising local maxima in the fields, limiting the flexibility of bounce-averaged simulations. Here, we present a general set of conditions for identifying consistent domains and the boundary condition connections between the domains, allowing the application of bounce-averaged theories in arbitrarily complicated and dynamically evolving electromagnetic field geometries. We also show how the connections between the domains can be represented by a directed graph, which can help to succinctly represent the trajectory bifurcation structure.

fusion plasma↗
DOE OSTI2020

Thickness-Tunable Self-Assembled Colloidal Nanoplatelet Films Enable Ultrathin Optical Gain Media

We propose and demonstrate construction of highly uniform, multilayered superstructures of CdSe/CdZnS core/shell colloidal nanoplatelets (NPLs) using liquid interface self-assembly. These NPLs are sequentially deposited onto a solid substrate into slabs having monolayer-precise thickness across tens of cm(2) areas. Because of near-unity surface coverage and excellent uniformity, amplified spontaneous emission (ASE) is observed from an uncharacteristically thin film having 6 NPL layers, corresponding to a mere 42 nm thickness. Furthermore, systematic studies on optical gain of these NPL superstructures having thicknesses ranging from 6 to 15 layers revealed the gradual reduction in gain threshold with increasing number of layers, along with a continuous spectral shift of the ASE peak (similar to 18 nm). These observations can be explained by the change in the optical mode confinement factor with the NPL waveguide thickness and propagation wavelength. This bottom-up construction technique for thickness-tunable, three-dimensional NPL superstructures can be used for large-area device fabrication.

Erdem, Onur↗
DOE OSTI2019

Effects of Coulomb coupling on stopping power and a link to macroscopic transport

Molecular dynamics simulations are used to assess the influence of Coulomb coupling on the energy evolution of charged projectiles in the classical one-component plasma. The average projectile kinetic energy is found to decrease linearly with time when ν α /ω p ≲ 10 –2 , where να is the Coulomb collision frequency between the projectile and the medium, and ω p is the plasma frequency. Stopping power is obtained from the slope of this curve. In comparison to the weakly coupled limit, strong Coulomb coupling causes the magnitude of the dimensionless stopping power, ( a/k B T ) dE / dx , to increase, the Bragg peak to shift to several times the plasma thermal speed, and for the stopping power curve to broaden substantially. The rate of change of the total projectile kinetic energy averaged over many independent simulations is shown to consist of two measurable components: a component associated with a one-dimensional friction force and a thermal energy exchange rate. In the limit of a slow and massive projectile, these can be related to the macroscopic transport rates of self-diffusion and temperature relaxation in the plasma. Simulation results are compared with available theoretical models for stopping power, self-diffusion, and temperature relaxation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Discovering the Unknowns: A First Step

This article aims at discovering the unknown variables in the system through data analysis. The main idea is to use the time of data collection as a surrogate variable and try to identify the unknown variables by modeling gradual and sudden changes in the data. We use Gaussian process modeling and a sparse representation of the sudden changes to efficiently estimate the large number of parameters in the proposed statistical model. The method is tested on a realistic dataset generated using a one-dimensional implementation of a Magnetized Liner Inertial Fusion (MagLIF) simulation model, and encouraging results are obtained.

42 ENGINEERING↗
DOE OSTI2024

Modeling Radiation-Induced Epithelial Cell Injury in Murine Three-Dimensional Esophageal Organoids

Esophageal squamous cell carcinoma (ESCC) is a deadly consequence of radiation exposure to the esophagus. ESCC arises from esophageal epithelial cells that undergo malignant transformation and features a perturbed squamous cell differentiation program. Understanding the dose- and radiation quality-dependence of the esophageal epithelium response to radiation may provide insights into the ability of radiation to promote ESCC. We have explored factors that may play a role in esophageal epithelial radiosensitivity and their potential relationship to ESCC risk. We have utilized a murine three-dimensional (3D) organoid model that recapitulates the morphology and functions of the stratified squamous epithelium of the esophagus to study persistent dose- and radiation quality-dependent changes. Interestingly, although high-linear energy transfer (LET) Fe ion exposure induced a more intense and persistent alteration of squamous differentiation and 53BP1 DNA damage foci levels as compared to Cs, the MAPK/SAPK stress pathway signaling showed similar altered levels for most phospho-proteins with both radiation qualities. In addition, the lower dose of high-LET exposure also revealed nearly the same degree of morphological changes, even though only ~36% of the cells were predicted to be hit at the lower 0.1 Gy dose, suggesting that a bystander effect may be induced. Although p38 and ERK/MAPK revealed the highest levels following high-LET exposure, the findings reveal that even a low dose (0.1 Gy) of both radiation qualities can elicit a persistent stress signaling response that may critically impact the differentiation gradient of the esophageal epithelium, providing novel insights into the pathogenesis of radiation-induced esophageal injury and early stage esophageal carcinogenesis.

3D organoid culture↗
NASA NTRS1972

Application of MORSE to radiation analysis of nuclear flight propulsion modules

Several modifications and additions were made to the multigroup Monte Carlo code (MORSE) to implement its use in a computational procedure for performing radiation analyses of NERVA nuclear flight propulsion modules. These changes include the incorporation of a new general geometry module; the inclusion of an expectation tracklength estimator; and the option to obtain source information from two-dimensional discrete ordinates calculations. Computations comparing MORSE and a point cross section Monte Carlo code, COHORT, were made in which a coupled discrete ordinates/Monte Carlo procedure was used to calculate the gamma dose rate at tank top locations of a typical propulsion module. The dose rates obtained from the MORSE computation agreed with the dose rates obtained from the COHORT computation to within the limits of the statistical accuracy of the calculations.

Woolson, W. A.↗
NASA NTRS1978

Ice sheet topography by satellite altimetry

The measured time between the transmission and rzturn of 13.9 GHz radar pulses from the GEOS 3 satellite (at a mean altitude of 844.5 km and an inclination of 114 deg 52 min) is used to determine the thickness of the Greenland ice cap, with an accuracy in surface elevation on the order of 2 m. Attention is given to changes in ice thickness as an indicator of climatic change in general, and change in mean sea level in particular. Each elevation data point obtained by the satellite represents an average along 0.67 km of ground track, and three-dimensional maps are presented to illustrate the data.

Brooks, R. L.↗