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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Many-Exciton Quantum Dynamics in a Ruddlesden–Popper Tin Iodide

We present a study on the many-body exciton interactions in a Ruddlesden–Popper tin halide, namely, (PEA) 2 SnI 4 (PEA = phenylethylammonium), using coherent two-dimensional electronic spectroscopy. The optical dephasing times of the third-order polarization observed in these systems are determined by exciton many-body interactions and lattice fluctuations. We investigate the excitation-induced dephasing (EID) and observe a significant reduction of the dephasing time with increasing excitation density as compared to its lead counterpart (PEA) 2 PbI 4 , which we have previously reported in a separate publication [J. Chem. Phys. 2020, 153, 164706]. Surprisingly, we find that the EID interaction parameter is four orders of magnitude higher in (PEA) 2 SnI 4 than that in (PEA) 2 PbI 4 . This increase in the EID rate may be due to exciton localization arising from a more statically disordered lattice in the tin derivative. This is supported by the observation of multiple closely spaced exciton states and the broadening of the linewidth with increasing population time (spectral diffusion), which suggests a static disordered structure relative to the highly dynamic lead-halide. Additionally, we find that the exciton nonlinear coherent lineshape shows evidence of a biexcitonic state with low binding energy (<10 meV) not observed in the lead system. We model the lineshapes based on a stochastic scattering theory that accounts for the interaction with a nonstationary population of dark background excitations. Our study provides evidence of differences in the exciton quantum dynamics between tin- and lead-based Ruddlesden–Popper metal halides (RPMHs) and links them to the exciton–exciton interaction strength and the static disorder aspect of the crystalline structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

An Observational Comparison of Level of Neutral Buoyancy and Level of Maximum Detrainment in Tropical Deep Convective Clouds

Tropical deep convective clouds are important drivers of large-scale atmospheric circulation representing the main vertical transport pathway through the depth of the troposphere for heat, momentum, water, and chemical species. The strength and depth of this transport are impacted by the convective updraft size and intensity that are driven by buoyancy, dynamical forcing, and mixing of environmental air, i.e., entrainment. In this paper, we identify tropical deep convective systems with well-defined forward anvils using Atmospheric Radiation Measurement (ARM) ground-based profiling radars, at three ARM fixed-sites in the Tropical Western Pacific (TWP; i.e., Manus, Nauru, Darwin) and three ARM Mobile Facility deployments in Niamey, Niger; Gan Island, Maldives; and Manacapuru, Brazil. We use the difference between the level of neutral buoyancy (LNB) and the level of maximum detrainment (LMD) as a proxy for the effective bulk convective entrainment (εproxy). The LNB, the theoretical height that a parcel raised above the level of free convection would reach with no mixing, is calculated based on pre-convection radiosonde measurements using parcel theory. The LMD is the height of the maximum reflectivity observed in forward anvil clouds by profiling radars. Deep convective systems over the TWP show higher LNBs that extend to 16.3 km on average and larger εproxy (median LNB minus LMD up to 6.5 km) compared to their continental counterparts in the Amazon and West Africa. Oceanic conditions show larger convective available potential energy (CAPE) coupled with higher moisture at low levels which favors larger εproxy. In contrast, continental cases initiate and develop under high convective inhibition, steeper environmental lapse rate, and high wind shear conditions, which show smaller offset between LNB and LMD. Deep convective cases that promote significant cold pools at the surface experience less εproxy. Using a Random Forest regression algorithm, CAPE is associated with the highest feature importance score for predicting convective εproxy, followed by low-level relative humidity. For continental cases, the low-level wind shear also indicates higher importance.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Renormalization of states and quasiparticles in many-body downfolding

We explore the principles of many-body Hamiltonian complexity reduction via downfolding on an effective low-dimensional representation. We show that the renormalization factor provides a unique measure of the quality of the compression as it directly represents the projection between the approximate stationary state of the many-body Hamiltonian and the full many-body wavefunction. Hence, the renormalization factor is a measure of fidelity between the effective (reduced-rank) description and the full many-body treatment for arbitrary (i.e., ground and excited) states. When the entire problem is mapped on a system of interacting quasiparticles [Romanova et al., npj Comput. Mater. 9, 126 (2023)], the effective Hamiltonians can faithfully reproduce the physics only when a clear energy scale separation exists between the subsystems and their environment. We also demonstrate that it is necessary to include quasiparticle renormalization at distinct energy scales, capturing the distinct interaction between subsystems and their surrounding environments. Numerical results from simple, exactly solvable models highlight the limitations and strengths of this approach, particularly for ground and low-lying excited states. This work lays the groundwork for applying dynamical downfolding techniques to problems concerned with (quantum) interfaces.

Green-functions technique↗
DOE OSTI2023

The mechanics of plant morphogenesis

Understanding the mechanism by which patterned gene activity leads to mechanical deformation of cells and tissues to create complex forms is a major challenge for developmental biology. Plants offer advantages for addressing this problem because their cells do not migrate or rearrange during morphogenesis, which simplifies analysis. We synthesize results from experimental analysis and computational modeling to show how mechanical interactions between cellulose fibers translate through wall, cell, and tissue levels to generate complex plant tissue shapes. Genes can modify mechanical properties and stresses at each level, though the values and pattern of stresses differ from one level to the next. Here, the dynamic cellulose network provides elastic resistance to deformation while allowing growth through fiber sliding, which enables morphogenesis while maintaining mechanical strength.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A Multi-Phase Modeling Framework Suitable for Dynamic Applications

Under dynamic loading conditions and the associated extreme conditions many metals will undergo phase transformations. The change in crystal structure associated with solid–solid phase transformations can significantly alter the subsequent mechanical response of the material. For the interpretation of experiments involving dynamic loading it is beneficial to have a modeling framework that captures key features of the material response while remaining relatively simple. We introduce a candidate framework and apply it to the metal tin to highlight a range of behaviors that are captured by the model. We also discuss potential extensions to capture additional behaviors that could be important for certain materials and loading scenarios. The model is useful for analysis of results from dynamic experiments and offers a point of departure for more complex model formulations.

36 MATERIALS SCIENCE↗
NASA NTRS1962

Observations on Cavitation Damage in a Flowing System

Cavitation damage to specimens of stainless steel, carbon steel, aluminum, and plexiglas, placed in a cavitating venturi using water and mercury as test fluids is mostly in the form of irregularly shaped pits which do not change with additional exposure to the cavitating field within the limited durations utilized. The rate of damage is very high initially, decreases for a relatively short period of time, then increases again up to the maximum test durations of 150 hours with water and 270 hours with mercury. Observation of damage effects by several independent techniques, using a variety of specimen materials, with two different fluids under various fluid dynamic conditions, leads to a suggested correlating model in terms of the cavitation bubble density and energy and specimen material strength.

VENTURI TUBE↗
NASA NTRS1981

Coherent structures in turbulence

A technique is proposed for calculating organized structures in turbulent shear flows. The proposed approach is based on a homogeneous function decomposition and involves representation of a random function as a series of coherent structures occurring at stochastic locations with stochastic strengths. Attention is given to the retrieval of phase information and information on overlap and spacing, nearly parallel shear flows, dynamical equations, and applications to measurements.

Lumley, J. L.↗
NASA NTRS1989

Viscoplasticity: A thermodynamic formulation

A thermodynamic foundation using the concept of internal state variables is given for a general theory of viscoplasticity, as it applies to initially isotropic materials. Three fundamental internal state variables are admitted. They are: a tensor valued back stress for kinematic effects, and the scalar valued drag and yield strengths for isotropic effects. All three are considered to phenomenologically evolve according to competitive processes between strain hardening, strain induced dynamic recovery, and time induced static recovery. Within this phenomenological framework, a thermodynamically admissible set of evolution equations is put forth. This theory allows each of the three fundamental internal variables to be composed as a sum of independently evolving constituents.

Freed, A. D.↗
NASA NTRS1991

Shock capturing schemes for multidimensional flow

Progress made in the development of a genuinely multidimensional finite volume algorithm for problems in inviscid gas dynamics is presented. The approach entails: (1) the reconstruction of flowfield data using a planar wave pattern in which the strengths and orientations of the component waves are derived independently of the mesh geometry; and (2) the development of a flux formula which provides a numerical approximation to the flux at a finite volume cell face during the passage of waves which are in general oblique to the face. Several algorithms are outlined, and the most recent developments are included. The results of several numerical cases are also included.

Parpia, Ijaz H.↗
NASA NTRS1991

A viscoplastic theory with thermodynamic considerations

A thermodynamic foundation using the concept of internal state variables is given for a general theory of viscoplasticity for initially isotropic materials. Three, fundamental, internal, state variables are admitted; they are: a tensorial back stress for kinematic effects, and scalar drag and yield strengths for isotropic effects. All three are considered to evolve phenomenologically according to competitive processes between strain hardening, deformation induced dynamic recovery, and thermally induced static recovery. Within this phenomenological framework, a thermodynamically admissible set of evolution equations is proposed. The theory allows each of the three internal variables to be composed as a sum of independently evolving constituents. The evolution of internal state can also include terms that vary linearly with the external variable rates, whose presence affects the energy dissipation properties of a material.

Freed, A. D.↗
NASA NTRS2002

Architecting Systems for Human Space Flight

Human-system interactions have been largely overlooked in the traditional systems engineering process. Awareness of human factors (HF) has increased in the past few years, but the involvement of HF specialists is still often too little and too late. In systems involving long-duration human space flight, it is essential that the human component be properly considered in the initial architectural definition phase, as well as throughout the system design process. HF analysis must include not only the strengths and limitations of humans in general, but the variability between individuals and within an individual over time, and the dynamics of group interactions.

Wocken, Gerald↗
NASA NTRS2011

Interannual Variability of Dust and Ice in the Mars Atmosphere: Comparison of MRO Mars Climate Sounder Retrievals with MGS-TES Limb Sounding Retrievals

Dust and ice play important roles in Martian atmospheric dynamics on all time scales. Dust loading in particular exerts an important control on atmospheric temperatures and thereby on the strength of the atmospheric circulation in any given year. We present the first comparisons of MGS-TES aerosol opacity profiles with MRO-MCS aerosol opacity profiles. While the differences in vertical resolution are significant (a factor of 2), we find good agreement at particular seasons between nightside zonal average dust opacity profiles from the two instruments. Derived water ice opacities are likewise similar but show greater variability.

Mars Climate Sounder (MCS)↗
NASA NTRS1991

Interaction of two glancing, crossing shock waves with a turbulent boundary-layer at various Mach numbers

A preliminary experimental investigation was conducted to study two crossing, glancing shock waves of equal strengths, interacting with the boundary-layer developed on a supersonic wind tunnel wall. This study was performed at several Mach numbers between 2.5 and 4.0. The shock waves were created by fins (shock generators), spanning the tunnel test section, that were set at angles varying from 4 to 12 degrees. The data acquired are wall static pressure measurements, and qualitative information in the form of oil flow and schlieren visualizations. The principle aim is two-fold. First, a fundamental understanding of the physics underlying this flow phenomena is desired. Also, a comprehensive data set is needed for computational fluid dynamic code validation. Results indicate that for small shock generator angles, the boundary-layer remains attached throughout the flow field. However, with increasing shock strengths (increasing generator angles), boundary layer separation does occur and becomes progressively more severe as the generator angles are increased further. The location of the separation, which starts well downstream of the shock crossing point, moves upstream as shock strengths are increased. At the highest generator angles, the separation appears to begin coincident with the generator leading edges and engulfs most of the area between the generators. This phenomena occurs very near the 'unstart' limit for the generators. The wall pressures at the lower generator angles are nominally consistent with the flow geometries (i.e. shock patterns) although significantly affected by the boundary-layer upstream influence. As separation occurs, the wall pressures exhibit a gradient that is mainly axial in direction in the vicinity of the separation. At the limiting conditions the wall pressure gradients are primarily in the axial direction throughout.

Hingst, Warren R.↗
NASA NTRS2006

Statistical Analyses of Satellite Cloud Object Data From CERES: Boundary-layer Cloud Objects During 1998 El Nino - Part 4

Three boundary-layer cloud object types, stratus, stratocumulus and cumulus, that occurred over the Pacific Ocean during January-August 1998, are identified from the CERES (Clouds and the Earth s Radiant Energy System) single scanner footprint (SSF) data from the TRMM (Tropical Rainfall Measuring Mission) satellite. This study emphasizes the differences and similarities in the characteristics of each cloud-object type between the tropical and subtropical regions and among different size categories and among small geographic areas. Both the frequencies of occurrence and statistical distributions of cloud physical properties are analyzed. In terms of frequencies of occurrence, stratocumulus clouds dominate the entire boundary layer cloud population in all regions and among all size categories. Stratus clouds are more prevalent in the subtropics and near the coastal regions, while cumulus clouds are relatively prevalent over open ocean and the equatorial regions, particularly, within the small size categories. The largest size category of stratus cloud objects occurs more frequently in the subtropics than in the tropics and has much larger average size than its cumulus and stratocumulus counterparts. Each of the three cloud object types exhibits small differences in statistical distributions of cloud optical depth, liquid water path, TOA albedo and perhaps cloud-top height, but large differences in those of cloud-top temperature and OLR between the tropics and subtropics. Differences in the sea surface temperature (SST) distributions between the tropics and subtropics influence some of the cloud macrophysical properties, but cloud microphysical properties and albedo for each cloud object type are likely determined by (local) boundary-layer dynamics and structures. Systematic variations of cloud optical depth, TOA albedo, cloud-top height, OLR and SST with cloud object sizes are pronounced for the stratocumulus and stratus types, which are related to systematic variations of the strength of inversion with cloud object sizes, produced by large-scale subsidence. The differences in cloud macrophysical properties over small regions are significantly larger than those of cloud microphysical properties and TOA albedo, suggesting a greater control of (local) large-scale dynamics and other factors on cloud object properties. When the three cloud object types are combined, the relative population among the three types is the most important factor for determining the cloud object properties in a Pacific transect where the transition of boundary-layer cloud types takes place.

Xu, Kuan-Man↗
DOE OSTI2023

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

The decline of coal use for energy production provides an abundance of local feedstock for new innovative uses and value-added products. Expanding the U.S. coal-value chain to manufacture high-value carbon products can strengthen the nation’s energy and mineral security, enhance the U.S. national defense security, increase the United States’ economic prosperity, while achieving U.S. environmental objectives. The primary project goal is a relatively light-weight composite product with superior (or comparable) compressive strength. Both virgin and, where available, post-consumer recycled thermoplastic versions are tested for each thermoplastic species. A useful attribute of thermoplastics as binders is that they can be heated to their melting point, cooled, and reheated again without significant degradation. A key advantage of thermoset CBBs is that they require only mixing and molding. CBB advantages include low cost, availability, binding ability and processability. Coal-based bricks and blocks (CBBs) weigh about 50% less than clay bricks and can be manufactured with an interlocking design to promote ease of use for the novice builder. CBB formulation is evaluated according to a design-of-experiments (DoE) approach. DoE variables are a) relative weight fractions of binder, b) relative proportions of large versus small (milled) anthracite size fractions, and c) additive percentage. Fabrication methods include hot-press molding and extrusion, the later being the most commercially viable. CBBs are tested for compressive strength, modulus of rupture (by flexure test) and water absorption per ASTM C67, with density determined by the Archimedes drainage method. Fractured interfaces are examined by SEM (Scanning Electron Microscopy) to resolve fracture dynamics and interior microstructure uniformity. Differential scanning calorimetry (DSC) is used to compare plastic transition temperatures i.e., glass and melting temperatures to contrast virgin with post-consumer recycled thermoplastics and optimize their usage. These results are used in the DoE analysis to identify the binder and relative weight percentages for optimum strength, density, and porosity. Overall, CBBs possess strength comparable to clay-based bricks but are non-permeable and hydrophobic, and hence resistant to degradation by freeze-fracturing, corrosion, and efflorescence. The strongest composites have been made with the following thermoplastic binders (in order of strength): thermoset, high-density polyethylene crosslink resin, high-density polyethylene, nylon 6/6, and polypropylene. Results from a techno-economic analysis TEA show economy of scale for CBBs by modularization and reveal the binder as the cost driver for material costs. Ideally, the incorporation of post-consumer recycled thermoplastic will decrease material acquisition costs and increase product sustainability. Notably, CBBs do not require the high temperature calcination needed to produce cement, nor do they require firing in the 1600-2400 °F range for three days using natural gas, as do clay brick equivalents. Instead, CBBs are heated to a modest <600 °F according to the melt flow index of the thermoplastic binder. Existing anthracite mines can be expanded to produce CBBs to reduce aggregate transportation costs and emissions that exist for clay bricks. TEA reflects this reduced energy cost while a comparative CO2 emission analysis quantifies the reduced environmental footprint. The market survey identifies several commercialization opportunities, dependent upon the brick classification.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

RAVEN Theory Manual

RAVEN is a software framework able to perform parametric and stochastic analysis based on the response of complex system codes. The initial development was aimed at providing dynamic risk analysis capabilities to the thermohydraulic code RELAP-7, currently under development at Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose stochastic and uncertainty quantification platform, capable of communicating with any system code. In fact, the provided Application Programming Interfaces (APIs) allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by input files or via python interfaces. RAVEN is capable of investigating system response and explore input space using various sampling schemes such as Monte Carlo, grid, or Latin hypercube. However, RAVEN strength lies in its system feature discovery capabilities such as: constructing limit surfaces, separating regions of the input space leading to system failure, and using dynamic supervised learning techniques. The development of RAVEN started in 2012 when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework arose. RAVEN’s principal assignment is to provide the necessary software and algorithms in order to employ the concepts developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just to identify the frequency of an event potentially leading to a system failure, but the proximity (or lack thereof) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. peak pressure in a pipe) is exceeded under certain conditions. Most of the capabilities, implemented having RELAP-7 as a principal focus, are easily deployable to other system codes. For this reason, several side activates have been employed (e.g. RELAP5-3D, any MOOSE-based App, etc.) or are currently ongoing for coupling RAVEN with several different software. The aim of this document is to provide a set of commented examples that can help the user to become familiar with the RAVEN code usage.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Terraced spreading of simple liquids on solid surfaces

We have studied the spreading of liquid drops on a solid surface by molecular-dynamics simulations of coexisting three-phase Lennard-Jones systems of liquid, vapor, and solid. We consider both spherically symmetric atoms and diatomic molecules, and a range of interaction strengths. As the attraction between liquid and solid increases we observe a smooth transition in spreading regimes, from partial to complete to terraced wetting. In the terraced case, where distinct monomolecular layers spread with different velocities, the layers are ordered but not solid, with substantial molecular diffusion both within and between layers. The quantitative behavior resembles recent experimental findings, but the detailed dynamics differ. In particular, the layers exhibit an unusual spreading law, where their radii vary in time as R-squared approximately equal to log10t, which disagrees with experiments on polymeric liquids as well as recent calculations.

Yang, Ju-Xing↗
DOE OSTI2022

An Engineered Multifunctional Composite for Passive Sensing, Power Harvesting, and In Situ Damage Identification with Enhanced Mechanical Performance

A multifunctional fiber-reinforced composite with passive self-sensing, energy-harvesting, and damage detection capabilities is presented. In this work, barium titanate piezoelectric microparticles are deposited on basalt fibers by a scalable, low-cost, environmentally friendly continuous feed-through process. The resulting composite derives a superior interlaminar shear strength from the microparticle-modified fiber–matrix interfaces. The composite also demonstrates passive self-sensing capabilities that produce electrical signals proportional to various dynamic loading events. Vibration and strain-controlled experiments are performed on composite beams to quantify the sensitivity and power output as a function of input acceleration and strain. Furthermore, these composite-generated electrical signals are used to identify in situ damage initiation for structural health monitoring to inform composite damage prior to structural failure. In brief, this truly multifunctional composite simultaneously displays a sensitivity of 0.5–2.6 mV g -1 at a resolution of 0.045–0.20g (g = gravitational acceleration), energy harvesting in the range of nW cc -1 , and prediction of early damage by exhibiting 0.017–1.17 mV peaks in voltage–time history profiles while assuring ≈20% improved interlaminar shear strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗