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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Using density functional theory to construct multiphase equations of state: tin as an example

We present a general methodology for using density functional theory (DFT) calculations as a basis for constructing multiphase equations of state (EOS). Focusing on tin as an example, we discuss the full process of generating a tabular EOS, starting from first-principles calculations and arriving at a full EOS in agreement with existing experimental data. We begin by describing DFT calculations for the five solid phases and liquid phase of tin, including cold curve, phonon, and DFT-based molecular dynamics calculations. We then discuss methods for incorporating DFT results into materials models used in OpenSesame, the program used to create a full tabular multiphase EOS. Next, we outline a general strategy for adjusting model parameters in OpenSesame to fit to a variety of experimental data, including isobaric data, isothermal data, shock data, solid-solid phase boundary measurements, and measurements of the melt curve. We end with a discussion of the advantages of using DFT data as a foundation for EOS generation and discuss potential strategies for automated EOS generation based on the fitting process highlighted in this work.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1975

Design, development and manufacture of a breadboard radio frequency mass gauging system

The feasibility of the RF gauging mode, counting technique was demonstrated for gauging liquid hydrogen and liquid oxygen under all attitude conditions. With LH2, it was also demonstrated under dynamic fluid conditions, in which the fluid assumes ever changing positions within the tank, that the RF gauging technique on the average provides a very good indication of mass. It is significant that the distribution of the mode count data at each fill level during dynamic LH2 and LOX orientation testing does approach a statistical normal distribution. Multiple space-diversity probes provide better coupling to the resonant modes than utilization of a single probe element. The variable sweep rate generator technique provides a more uniform mode versus time distribution for processing.

Source record↗
NASA NTRS1982

The cryogenic wind tunnel for high Reynolds number testing

An improved way to increase the Reynolds numbers capability of wind tunnels has been developed at the Langley Research Center. Cooling the test gas to cryogenic temperatures by spraying liquid nitrogen into the tunnel circuit increases Reynolds number with no increase in dynamic pressure and a reduction in drive power. In addition, the ability to vary the temperature of the test gas independently of pressure and Mach number allows for the first time the independent determination of Reynolds number, Mach number, and aeroelastic effects. A new fan-driven transonic cryogenic tunnel being built at the Langley Research Center will provide an order of magnitude increase in Reynolds number capability over existing transonic tunnels in the United States when it is completed later this year.

Kilgore, R. A.↗
NASA NTRS1986

The response of cloud tops to radiative forcing

A longwave radiative transfer model was developed to study the effects on clouds of radiative loss of thermal energy from boundary layer cloud tops. Spectral properties of the drop size distributions are considered with Mie theory and LOWTRAN 6 gas transmission, which is combined with pathlength distributions from a Monte Carlo simulation, are used to obtain a 20/cm spectral resolution. Results are provided from a simulation of radiative cooling, at various wavelengths, of a 500 m thick cloud with a top at 2 km altitude. The very high values generated for the rates of cooling, of change of the liquid water content and of droplet growth rates indicate that cloud tops respond dynamically to strong thermal forcing.

Alves, A. R.↗
NASA NTRS1990

Control-oriented modeling of combustion and flow processes in liquid propellant rocket engines

This paper presents a control-oriented model of the flow, reaction, and transport processes in liquid propellant rocket combustion chambers, based on the multicomponent conservation laws of gas dynamics. This model provides a framework for the inclusion of detailed chemical kinetic relations, viscous and other dissipative effects, a variety of actuators and sensors, as well as process and measurement disturbances. In addition to its potential usefulness to the designer in understanding the dynamical complexity of the system and the sources of model uncertainty, the model provides a rigorous basis for control system design. An appraisal of current and feasible actuators and sensors, and their mathematical representation are included.

Bentsman, Joseph↗
NASA NTRS1992

Precursor SSF utilization: The MODE experiments

The MIT Space Engineering Research Center is the principal investigator for a series of experiments which utilize the Shuttle Middeck as an engineering dynamics laboratory. The first, which flew on STS-48 in Sep. 1991, was the Middeck O-gravity Dynamics Experiment (MODE). This experiment focused on the dynamics of a scaled deployable truss, similar to that of SSF, and contained liquids in tanks. MODE will be reflown in the fall of 1993. In mid-1994, the Middeck Active Control Experiment (MACE) will examine the issues associated with predicting and verifying the closed loop behavior of a controlled structure in zero gravity. The paper will present experiment background, planning, operational experience, results, and lessons learned from these experiments which are pertinent to SSF utilization.

Crawley, Edward F.↗
NASA NTRS1993

Computational Fluid Dynamics (CFD) applications in rocket propulsion analysis and design

Computational Fluid Dynamics (CFD) has been used in recent applications to affect subcomponent designs in liquid propulsion rocket engines. This paper elucidates three such applications for turbine stage, pump stage, and combustor chamber geometries. Details of these applications include the development of a high turning airfoil for a gas generator (GG) powered, liquid oxygen (LOX) turbopump, single-stage turbine using CFD as an integral part of the design process. CFD application to pump stage design has emphasized analysis of inducers, impellers, and diffuser/volute sections. Improvements in pump stage impeller discharge flow uniformity have been seen through CFD optimization on coarse grid models. In the area of combustor design, recent CFD analysis of a film cooled ablating combustion chamber has been used to quantify the interaction between film cooling rate, chamber wall contraction angle, and geometry and their effects of these quantities on local wall temperature. The results are currently guiding combustion chamber design and coolant flow rate for an upcoming subcomponent test. Critical aspects of successful integration of CFD into the design cycle includes a close-coupling of CFD and design organizations, quick turnaround of parametric analyses once a baseline CFD benchmark has been established, and the use of CFD methodology and approaches that address pertinent design issues. In this latter area, some problem details can be simplified while retaining key physical aspects to maintain analytical integrity.

Mcconnaughey, P. K.↗
NASA NTRS1992

Fluid mechanics phenomena in microgravity; ASME Winter Annual Meeting, Anaheim, CA, Nov. 8-13, 1992

This paper is the first in a series of symposia presenting research activity in microgravity fluid mechanics. General topics addressed include two-phase flow and transport phenomena, thermo-capillary flow, and interfacial stability. Papers present mathmatical models of fluid dynamics in the microgravity environment. Applications suggested include space manufacturing and storage of liquids in low gravity.

Siginer, Dennis A.↗
NASA NTRS2003

Thermal Performance Testing Of Cryogenic Piping Systems

Thermal performance measurement of piping systems under actual field conditions is important for space launch development and commercial industry. Knowledge of the true insulating effectiveness is needed in system design, development, and research activities. A new 18-meter-long test apparatus for cryogenic pipelines has been developed. Three different pipelines, rigid or flexible, can be tested simultaneously. Critical factors in heat leak measurements include eliminating heat transfer at end connections and obtaining proper liquid saturation condition. Effects due to variations in the external ambient conditions like wind, humidity, and solar radiation must be minimized. The static method of liquid nitrogen evaporation has been demonstrated, but the apparatus can be adapted for dynamic testing with cryogens, chilled water, or other working fluids. This technology is suited for the development of an industry standard test apparatus and method. Examples of the heat transfer data from testing commercially available pipelines are given. Prototype pipelines are currently being tested and evaluated at the Cryogenics Test Laboratory of NASA Kennedy Space Center.

Fesmire, J. E.↗
NASA NTRS2003

Modeling Primary Breakup: A Three-Dimensional Eulerian Level Set/Vortex Sheet Method for Two-Phase Interface Dynamics

This paper is divided into four parts. First, the level set/vortex sheet method for three-dimensional two-phase interface dynamics is presented. Second, the LSS model for the primary breakup of turbulent liquid jets and sheets is outlined and all terms requiring subgrid modeling are identified. Then, preliminary three-dimensional results of the level set/vortex sheet method are presented and discussed. Finally, conclusions are drawn and an outlook to future work is given.

Herrmann, M.↗
NASA NTRS2012

Velocity Vector Field Visualization of Flow in Liquid Acquisition Device Channel

A capillary flow liquid acquisition device (LAD) for cryogenic propellants has been developed and tested in NASA Glenn Research Center to meet the requirements of transferring cryogenic liquid propellants from storage tanks to an engine in reduced gravity environments. The prototypical mesh screen channel LAD was fabricated with a mesh screen, covering a rectangular flow channel with a cylindrical outlet tube, and was tested with liquid oxygen (LOX). In order to better understand the performance in various gravity environments and orientations at different liquid submersion depths of the screen channel LAD, a series of computational fluid dynamics (CFD) simulations of LOX flow through the LAD screen channel was undertaken. The resulting velocity vector field visualization for the flow in the channel has been used to reveal the gravity effects on the flow in the screen channel.

McQuillen, John B.↗
NASA NTRS2020

Turbulent mixing in supercritical jets: effect of compressibility factor and inflow condition

Fuel injection and turbulent mixing at supercritical pressures determines ignition and combustion in numerous engineering applications. Flow evolution under such conditions is characterized by strong non-linear coupling between dynamics, transport coefficients, and thermodynamics. Experimental studies observe that the jets injected at supercritical pressures exhibit significantly different dynamics from the jets at subcritical conditions, owing to the lack of distinct liquid and gas phases in supercritical state. Thus, the averaged flow quantities such as the potential core length, jet spatial growth rate and velocity decay profiles differ in the two conditions, resulting in different mixed-fluid distributions. In this study, turbulent jet direct numerical simulations (DNS) are performed to examine the variations in flow statistics between injection of Nitrogen (N₂) in Nitrogen (N₂) at both subcritical (perfect-gas) and supercritical conditions. In all cases, isothermal round jets at Reynolds number (Re_{D}), based on jet diameter (D) and jet orifice velocity (U₀), of 5000 are considered. For mixing analyses, a passive scalar transported with the flow is examined.

Sharan, Nek↗
DOE OSTI2025

Structural and Dynamical Insights into the Formation Process of a Cross-Linked Polymer Network in Acrylic Adhesives During Thermal Curing

Many modern adhesives, sealants, and coatings rely on the controlled transition from a liquid to a solid state by forming a three-dimensional cross-linked polymer network, often referred to as curing. The curing process, which is initiated by the mixing of reactive components or an external trigger, defines the structure of a network and further controls the final mechanical properties of cured materials. However, the curing mechanism is not fully understood yet due to the lack of experimental tools capable of directly probing the structure and dynamics of a network over relevant time- and length scales. Here, in this paper, we report the curing process of a commercial two-component methyl methacrylate (MMA) adhesive using in operando X-ray photon correlation spectroscopy (XPCS), a method that closely simulates the target manufacturing environment of the adhesive. The results are then integrated with those obtained by rheology, differential scanning calorimetry (DSC), and transmission electron microscopy to establish the structure–dynamics–process–property relationship. The XPCS results identify four distinct stages in the curing process after the mixing, extrusion, and deposition of the acrylic adhesive: (i) At a cure time (or “aging time”, t age ) of less than 1 min, nanodomains of polymerized MMA are formed within a liquid monomeric MMA matrix. The average size is several nm and remains constant over t age , while the dynamics of the nanodomains are slowed down with t age due to an increase in the viscosity of the MMA matrix. (ii) After t age > 1 min, the size of the nanodomains increases with t age until the gel point (= 6.3 min after mixing as determined by rheology). The dynamics of the nanodomains also increase due to the heat generated by the exothermic reaction. (iii) At the gel point, the nanodomains begin to interconnect each other, resulting in a network structure with a characteristic length of about 100 nm. This characteristic network size does not change for the rest of the curing process up to t age = 500 min. The dynamics of the network structure, however, show a rapid slowing down with t age up to t age ≈ 12 min, corresponding to the onset of vitrification (as determined by rheology). (iv) At t age > 12 min, when the DSC and rheology data can no longer provide meaningful information, the XPCS data show a further slowing down of the network dynamics associated with vitrification. Our results provide rich and complex insights into the physics and material design of thermosets in commercially relevant processes, which are essential for future industrial applications.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Dynamic Conversion Working Group Summary

The potential of dynamic conversion devices for use in solar and nuclear dynamic space power systems was addressed. Conversion systems considered were based on the use of Brayton, Stirling and Rankine cycles. Both organic and liquid metal Rankine cycles were included. The basic system considerations were: mission requirements, system attributes, system options, technology issues and constraints, and priorities of needed technology development. Mission requirements, where dynamic conversion was considered enabling technology, were identified along with the associated power levels and potential energy sources. When considering the system options special attention was given to recommend operating temperatures and other significant discriminators. A list of prioritized tasks considered important for the successful development of dynamic conversion systems for 1995 and beyond was compiled.

Chaffee, N.↗
DOE OSTI2020

Review: knots and other new topological effects in liquid crystals and colloids

Abstract Humankind has been obsessed with knots in religion, culture and daily life for millennia, while physicists like Gauss, Kelvin and Maxwell already involved them in models centuries ago. Nowadays, colloidal particles can be fabricated to have shapes of knots and links with arbitrary complexity. In liquid crystals, closed loops of singular vortex lines can be knotted by using colloidal particles and laser tweezers, as well as by confining nematic fluids into micrometer-sized droplets with complex topology. Knotted and linked colloidal particles induce knots and links of singular defects, which can be interlinked (or not) with colloidal particle knots, revealing the diversity of interactions between topologies of knotted fields and topologically nontrivial surfaces of colloidal objects. Even more diverse knotted structures emerge in nonsingular molecular alignment and magnetization fields in liquid crystals and colloidal ferromagnets. The topological solitons include hopfions, skyrmions, heliknotons, torons and other spatially localized continuous structures, which are classified based on homotopy theory, characterized by integer-valued topological invariants and often contain knotted or linked preimages, nonsingular regions of space corresponding to single points of the order parameter space. A zoo of topological solitons in liquid crystals, colloids and ferromagnets promises new breeds of information displays and a plethora of data storage, electro-optic and photonic applications. Their particle-like collective dynamics echoes coherent motions in active matter, ranging from crowds of people to schools of fish. This review discusses the state of the art in the field, as well as highlights recent developments and open questions in physics of knotted soft matter. We systematically overview knotted field configurations, the allowed transformations between them, their physical stability and how one can use one form of knotted fields to model, create and imprint other forms. The large variety of symmetries accessible to liquid crystals and colloids offer insights into stability, transformation and emergent dynamics of fully nonsingular and singular knotted fields of fundamental and applied importance. The common thread of this review is the ability to experimentally visualize these knots in real space. The review concludes with a discussion of how the studies of knots in liquid crystals and colloids can offer insights into topologically related structures in other branches of physics, with answers to many open questions, as well as how these experimentally observable knots hold a strong potential for providing new inspirations to the mathematical knot theory.

Physics↗
DOE OSTI2025

Structure of Novel Phosphonium-Based Ionic Liquids with S and O Substitutions from Experiments and a Mixed Quantum-Classical Approach

This article presents experimental characterization information and synchrotron X-ray scattering measurements on a set of novel O- and S-substituted phosphonium-based ionic liquids (ILs) all coupled with the bis(fluorosulfonyl)imide (FSI-) anion. The ILs include the ethoxyethyltriethylphosphonium (P 222(2O2) + ) and triethyl[2-(ethylthio)ethyl]phosphonium (P 222(2S2) + ) cations, and we contrast results on these with those for unsubstituted triethylpentylphosphonium (P 2225 + ). The article also introduces a physics-based protocol that combines classical force field studies on larger simulation boxes with classical and first-principles studies on smaller boxes. The method produces significantly improved S(q) functions in the regime which in prior publications we have associated with inter- and intraionic adjacency correlations. By understanding which shorter-range structural changes improve S(q) in the q-regime of interest, we are also able to pinpoint specific deficiencies in the classical force field model. The approach we take should be quite general and could help study other complex liquids on different length scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Wetting Hysteresis at the Molecular Scale

The motion of a fluid-fluid-solid contact line on a rough surface is well known to display hysteresis in the contact angle vs. velocity relationship. In order to understand the phenomenon at a fundamental microscopic level, we have conducted molecular dynamics computer simulations of a Wilhelmy plate experiment in which a solid surface is dipped into a liquid bath, and the force-velocity characteristics are measured. We directly observe a systematic variation of force and contact angle with velocity, which is single-valued for the case of an atomically smooth solid surface. In the microscopically rough case, however, we find (as intuitively expected) an open hysteresis loop. Further characterization of the interface dynamics is in progress.

Jin, Wei↗
NASA NTRS2016

Simulations of Li+ in Ionic Liquids: Structure, Transport, and Electrochemical Windows

Ionic liquids have been proposed as candidate electrolytes for a number of electrochemical applications. The Li+ solvation structure in these liquids is of central importance to electrolyte properties, like ionic conductivity and electrochemical stability. To this point, we employ simulations at three different size scales to better understand various aspects of the interplay between Li+ solvation structure and dynamics. The smallest systems are Li(Anion)n clusters that are treated with high-accuracy density functional theory (DFT) techniques to provide insight into solvation shell structure through energetics and comparisons to experimental IRRaman spectra. Mid-range sized liquid-phase systems (12-24 ion pairs) are treated with DFT molecular dynamics (MD) to provide temperature-dependent insight into Li+ solvation structure, diffusion, and electrochemical window. The largest systems (144-216 ion pairs) are treated with polarizable MD simulations to evaluate the influence of Li-networks on structure and provide size independent values of transport properties. We perform this procedure on three technologically important ionic liquids and comment on property correlations with solvation structure.

batteries↗