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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Report on use of Inoculants in Missile Application Alloys

This report documents the status of current inoculant research relevant to missile application alloys and MTCR control language. The information is intended to provide data on current inoculants for us determining the current state of development and identifying potential research directions. Although there has been significant scientific research into the development and synthesis of inoculants, their current availability is limited is traditional powder inoculants employed during casting processes. However, research continues the development of complex oxides, ribbon materials, high entropy alloys, and other inoculant product forms, including the use of inoculants in the melt pools produced during additive manufacturing. Research to date has focused primarily on aluminum and steel alloys with emphasis on refining grain structures and evolving equiaxed morphologies while increasing strength and castability. The primary inoculants in steel and cast irons include TiN, SiC, FeSi75, and Ce which have increased strength properties. Chief inoculants for Al alloys often include TiC, SiC, Al3Sc(x) and TiB2 to aid in precipitation and refinement. Ti and Ni alloys have fewer research activities involving inoculants, although TiN, TiB, ZrN and LaB6 (for Ti alloys) and WC, Co3FeNb2, and CrFeNb (for Ni alloys) have been used. Sic, Al2O3, Mg and Ti are key inoculants for Mg alloys. Multiple cast alloys from each of the material classes demonstrated increased strength and performance properties using inoculants, with several approaching requirements applicable to missile service environments. The continued evolution of advanced manufacturing capabilities is making it easier to produce high temperature near net shape structural materials using inoculant powders. These shapes may include the geometric shapes addressed within the MTCR (tubes and limited wall thicknesses). The use of inoculants may enable further development of high temperature alloys into near net shapes traditionally produced via casting processes due to limited ductility. This may decrease material and manufacturing costs. In addition, inoculation provides controlled kinetics and achievable chemical segregation that enables potential for far-from equilibrium thermodynamic microstructures and chemistries that could provide new metastable alloy states and subsequent properties to address co-design engineering constraints, including needs for increased strength and ductility. It is recommended that specific material combinations within these alloy classes be carefully watched as the materials evolve, with controls aimed at those having material properties above current MTCR levels. This specifically includes the use of refractory inoculants in alloys, and the application of inoculants in high strength and high temperature alloys via additive manufacturing processes, with care to link capabilities to product forms similar to the current requirements on tube geometries and material feed stocks. The continued development of nanoparticle inoculants will increase strength and ductility of high strength castings and additive manufactured metallic components. For example, adding inoculants into the casting of maraging steels and other precipitation strengthened alloys may drastically elevate mechanical properties above the control limit of current regulations.

36 MATERIALS SCIENCE↗
NASA NTRS1972

The stability of tangential discontinuities

Intuition regarding the stability of MHD tangential discontinuities of solar wind has been borne out by a linear stability analysis of the MHD equations. In performing the calculation, the model used had no plasma flow and thus corresponded to the solar wind rest frame. The method calculated the change in total energy, plasma plus magnetic, due to the perturbation. This type of stability analysis is analogous to the test of the stability of an equilibrium point in a mechanical potential.

Birmingham, T.↗
NASA NTRS1981

On the temporal development of a plasma sheath

This work studies a one-dimensional model for the time-dependent behavior caused by placing an uncharged conducting surface in contact with a uniform equilibrium plasma. Both the probe potential and plasma response are unknown a priori but are specified through a set of self-consistent model equations and boundary conditions. Some numerical and analytical consequences of this model are investigated. In particular, such issues are considered as (1) the formation and expansion of a quasi-neutral region connecting the non-neutral sheath to the distant undisturbed plasma; (2) the validity of assuming the existence of a sheath edge; and (3) the role of both static and dynamic Bohm criteria in the theory of unsteady sheath development.

Cipolla, J. W., Jr.↗
NASA NTRS1982

X-ray observations of Abell 2218 and implications for the Sunyaev-Zel'dovich effect

The Einstein Observatory was used to obtain a high-resolution X-ray image and an X-ray flux measurement of the galaxy cluster Abell 2218. The combined system of intracluster medium and galaxies is modeled as a gas in hydrostatic equilibrium in a common gravitational potential with an isothermal galaxy component. This model is then fitted in the least-squares sense to the X-ray surface brightness distribution and to the optically determined galaxy surface density profile to determine model parameters. The gas is found to be nominally isothermal, moderately dense, and very hot (10-30 keV); these conditions are consistent with the Sunyaev-Zel'dovich effect, i.e., the diminution in the cosmic microwave background radiation intensity in the direction of this cluster. It is noted that the considerable imprecision inherent in the method of distance measurement based on the combination of microwave measurements with X-ray and optical data makes it impossible to make a definitive statement about the distance to Abell 2218.

Boynton, P. E.↗
NASA NTRS1985

Temporal variations in predictability

Those characteristics which most significantly contribute to temporal variations in error growth are presently examined in light of a large ensemble of predictability runs conducted in the course of a long equilibrium run in a two-level, nonlinear, quasi-geostrophic model which incorporates orography. In the error spectrum thus developed, all scales grow with a similar doubling time until saturation is first reached at the smallest scales. Due to a lag relationship between equilibrium kinetic energy and available potential energy, it is possible to marginally predict times of small and large error growth.

Roads, J. O.↗
NASA NTRS1986

Comparison of calculated and experimental thermal attachment rate constants for SF6 in the temperature range 200-600 K

Electron-attachment cross sections are calcualted for the process e(-) + SF6 yields SF6(-) in the energy range 1-200 meV. An electron scattering approximation is used in which diatomiclike potential energy curves near the equilibrium SF6 ground state are constructed from recent spectroscopic data. Excellent agreement is found over the entire energy range with experimental attachment cross sections at a temperature of 300 K for s-wave (l = 0) scattering. The same calculation, with appropriate adjustment of the thermal populations, is used to calculate attachment rate constants in the range 50-600 K for both s- and p-wave scattering.

Orient, O. J.↗
NASA NTRS1989

A combined optical/X-ray study of the Galaxy cluster Abell 2256

The dynamics of Abell 2256 is investigated by combining X-ray observations of the intracluster gas with optical observations of the galaxy distribution and kinematics. Magnitudes and positions are presented for 172 galaxies and new redshifts for 75. Abell 2256 is similar to the Coma Cluster in its X-ray luminosity, mass, and galaxy density. Both the X-ray surface brightness and the galaxy surface density distributions exhibit an elliptical morphology. The radial galaxy distribution is steeper than the density profile of the X-ray-emitting gas, yet the galaxy velocity dispersion is higher than the equivalent value for the gas. Under the simplest assumptions that the galaxy velocity distribution is isotropic and the gas is isothermal, the galaxies and gas cannot be in hydrostatic equilibrium in a common gravitational potential. Models consistent with available data have mass-to-light ratios which increase with radius and galaxy orbits that are anisotropic with a radial bias.

Fabricant, Daniel G.↗
NASA NTRS1997

X-Ray Gas Temperatures in the Arc Clusters MS0440+204 and MS0302+1658

The cluster of galaxies MS0440+02, originally discovered through its X-ray emission, was part of an optical observational program to search for arcs and arclets in a complete sample of X-ray luminous, medium-distant clusters of galaxies. Mauna Kea CCD images of MS0440+02 showed a remarkable optical morphology. The core of the cluster contains 6 bright galaxies and numerous fainter ones embedded in a low surface brightness halo. Besides, MS0440+02 is the most spectacular example that we have found of an arc system in a compact condensed cluster, with arcs symmetrically distributed to draw almost perfect circles around the cluster center. Giant arcs are magnified images of distant galaxies, gravitationally distorted by massive foreground clusters. It is of great importance to compare the results of the lensing studies with those derived from X-ray observations, as the two are independent methods of studying the mass distribution. Thus MS0440+02 was the ideal target to obtain temperature measurement with ASCA and good spatial resolution X-ray observations with ROSAT. The X-ray data have been used in conjunction with Hubble Space Telescope observations to put more stringent constrains on the mass estimates. Most of the different wavelength datasets have been reduced and analyzed. Mass determinations have been separately obtained from galaxy virial motions and X-ray profile fitting using the cluster gas temperature as measured by the ASCA satellite. Assuming that the hot gas is in hydrostatic equilibrium and in a spherical potential, we find from the X-ray data a mass distribution profile that is well described by a Beta model. From the multiple images formed by gravitational lensing (HST data) using the modelling of the gravitational lensed arcs, we have derived Beta model. To reconcile the mass estimates we have explored the possibility of having a supercluster surrounding the MOS0440 cluster, that is a model with two isothermal spheres, one embedded inside the other. These results have been published or are in press.

Gioia, Isabella M.↗
NASA NTRS1998

Tropical Oceanic Precipitation Changes After the 1991 Pinatubo Eruption

Passive microwave channels like those flown on the Special Sensor Microwave Imager (SSM/I) contain two primary type of information on oceanic precipitation: condensate below the freezing level and precipitation-size condensate above the freezing level. The authors explore the question of whether these two separate pieces of information might contain insight into climate processes during a perturbation in the climate system. In particular, the relative fluctuations of rain and ice signals could be related to precipitation efficiency, an important determinant of the equilibrium climate, and thus a potential feedback mechanism in climate change. As an example of this potential application, SSM/I-derived liquid and frozen precipitation signals are used to infer changes in tropical oceanic precipitation characteristics during the cool period following the 1991 eruption of Mount Pinatubo. The need for an assessment of the temperature sensitivity of precipitation-retrieval algorithms is also discussed.

Spencer, Roy W.↗
NASA NTRS2010

Is EETA79001 Lithology B A True Melt Composition?

EETA79001 is a member of the SNC (shergottite, nakhlite, chassignite) group of Martian meteorites. Most SNC meteorites are cumulates or partial cumulates [1] inhibiting calculation of parent magma compositions; only two (QUE94201 and Y- 980459) have been previously identified as true melt compositions. The goal of this study is to test whether EETA79001-B may also represent an equilibrium melt composition, which could potentially expand the current understanding of martian petrology.

Arauza, S. J.↗
NASA NTRS2012

Fortnightly Ocean Tides, Earth Rotation, and Mantle Anelasticity

The fortnightly Mf ocean tide is the largest of the long-period tides (periods between 1 week and 18.6 years), but Mf is still very small, generally 2 cm or less. All long-period tides are thought to be near equilibrium with the astronomical tidal potential, with an almost pure zonal structure. However, several lines of evidence point to Mf having a significant dynamic response to forcing. We use a combination of numerical modeling, satellite altimetry, and observations of polar motion to determine the Mf ocean tide and to place constraints on certain global properties, such as angular momentum. Polar motion provides the only constraints on Mf tidal currents. With a model of the Mf ocean tide in hand, we use it to remove the effects of the ocean from estimates of fortnightly variations in length-of-day. The latter is dominated by the earth's body tide, but a small residual allows us to place new constraints on the anelasticity of the earth's mantle. The result gives the first experimental confirmation of theoretical predictions made by Wahr and Bergen in 1986.

Ray, Richard↗
DOE OSTI2023

Chaotic and integrable magnetic fields in one-dimensional hybrid Vlasov–Maxwell equilibria

The construction of kinetic equilibrium states is important for studying stability and wave propagation in collisionless plasmas. Thus, many studies over the past decades have been focused on calculating Vlasov–Maxwell equilibria using analytical and numerical methods. However, the problem of kinetic equilibrium of hybrid models is less studied, and self-consistent treatments often adopt restrictive assumptions ruling out cases with irregular and chaotic behaviour, although such behaviour is observed in spacecraft observations of space plasmas. In this paper, we develop a one-dimensional (1-D), quasineutral, hybrid Vlasov–Maxwell equilibrium model with kinetic ions and massless fluid electrons and derive associated solutions. The model allows for an electrostatic potential that is expressed in terms of the vector potential components through the quasineutrality condition. The equilibrium states are calculated upon solving an inhomogeneous Beltrami equation that determines the magnetic field, where the inhomogeneous term is the current density of the kinetic ions and the homogeneous term represents the electron current density. We show that the corresponding 1-D system is Hamiltonian, with position playing the role of time, and its trajectories have a regular, periodic behaviour for ion distribution functions that are symmetric in the two conserved particle canonical momenta. For asymmetric distribution functions, the system is nonintegrable, resulting in irregular and chaotic behaviour of the fields. The electron current density can modify the magnetic field phase space structure, inducing orbit trapping and the organization of orbits into large islands of stability. Thus, the electron contribution can be responsible for the emergence of localized electric field structures that induce ion trapping. We also provide a paradigm for the analytical construction of hybrid equilibria using a rotating two-dimensional harmonic oscillator Hamiltonian, enabling the calculation of analytic magnetic fields and the construction of the corresponding distribution functions in terms of Hermite polynomials.

Kaltsas, Dimitrios A. (ORCID:0000000300769015)↗
DOE OSTI2022

Revealing nanomechanical deformation at the interface and degradation in all-thin-film inorganic electrochromic devices

Recently, progress in electrochromic (EC) devices has been made in optimizing electrode and device configurations and performance. However, the ion insertion/de-insertion induced charge transfer (CT) nanomechanical effect has remained unexplored, i.e., repetitive electrode size changes at the nanoscale and stress/strain generated during electrochemical cycling, which is the focus of this work due to its intimate correlation with the elastic and plastic deformation at the interface. Considering the intervalence electrons, excellent electrochemical kinetics, and dramatic color changes, tungsten oxide (WO 3 ) and nickel oxide (NiO) films are configured as the EC cathode and anode materials, respectively, within a full device. Upon extended cycles (>10 000), the void generation and delamination that occurred at the interface account for performance decay. Encouraged by the findings, nanoindentation mechanical tests and electrical kelvin probe force microscopy were employed to investigate the CT induced effects at the interface. There is a dramatic increase of up to 45% in the elastic Young's modulus in colored/charged WO 3 at ~40 mC cm -2 . Here, the correlation between CT and synergistic mechanical effect is interpreted by the Lippman equation. Interestingly, despite the charged state (colored; lithiated) with a relatively flat morphology bringing an ~3.4 times higher electrostatic surface potential, the electrical work function unexpectedly decreases, arising from the dominant effect of the dipole layer potential over the chemical potential. The interatomic cohesive energy and equilibrium distance increase bury the seeds for mechanical deformation in the long run. This work provides fundamental insights into electro-chemo mechanics and interdisciplinary concerted interfacial effects at the nano/atomic level. The dependence of surface potential, stress, work function, and cohesive energy on electrochemical kinetics has been interpreted.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Self-consistent equilibrium and transport simulations for NSTX-U plasmas enhanced via machine learning surrogate models

The Control-Oriented Transport SIMulator (COTSIM) is an advanced equilibrium and transport code designed for simulating tokamak discharges at computational speeds suitable for control applications. COTSIM’s modular framework enables users to select models that balance accuracy with speed according to specific needs, allowing the code to operate from fast to faster-than-real-time performance levels. This work presents recent enhancements to COTSIM’s predictive accuracy for NSTX-U scenarios, achieved by integrating neural-network-based surrogate models and self-consistent equilibrium calculations. To improve source deposition predictions, a surrogate model for NUBEAM has been incorporated. Additionally, a surrogate model for the Multi-Mode Module (MMM) now supports predictions of anomalous thermal, momentum, and particle diffusivities—key factors for modeling the evolution of temperature and rotation. Each surrogate model was specifically trained for the NSTX-U operational regime to enhance COTSIM’s accuracy while maintaining computational efficiency. Moreover, COTSIM now couples fixed-boundary equilibrium solvers with its transport solvers, enabling self-consistent predictions of plasma profiles and equilibrium evolution over the discharge. Simulation results demonstrate strong agreement between COTSIM and TRANSP predictions for NSTX-U discharges. These substantial advancements expand COTSIM’s utility in model-based control applications for NSTX-U. Potential applications include simultaneous optimization of equilibrium and transport scenarios, integration into digital twins, real-time profile estimation (e.g., temperature and rotation) from limited or noisy measurements, and advanced feedback-based scenario control.

Equilibrium and transport modeling↗
DOE OSTI2022

Computational Prediction of Water Sorption in Facilitated Transport Membranes

Polymeric facilitated transport membranes (FTMs) have emerged as an innovative class of promising carbon capture technology. Studies have shown that the transport properties of an FTM are significantly influenced by its water uptake. In order to better quantify FTM performance, we herein explore the potential of computational techniques to predict the equilibrium water uptake values of FTMs. Two prediction approaches were examined. First, the water sorption was explicitly simulated by iteratively conducting grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations. Second, the water sorption was predicted based on the chemical potential of the adsorbed water, which was calculated using the Widom insertion or continuous fractional component Monte Carlo (CFCMC) method. The chemical potential-based approach with CFCMC demonstrated good prediction of the equilibrium water uptake values of FTMs with poly(N-vinylformamide-co-vinylamine) as fixed-site carrier and 2-(1-piperazinyl)ethylamine sarcosinate as mobile carrier. The predicted water uptake values increased with increasing mobile carrier content and were in good agreement with the experimental values. Furthermore, the higher water uptake promoted the diffusion of CO 2 , N 2 , and mobile carrier as well as slightly stifled the sorption of N 2 . Such an approach significantly contributes to a more comprehensive theoretical evaluation of FTMs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The imaginary part of the heavy-quark potential from real-time Yang-Mills dynamics

We extract the imaginary part of the heavy-quark potential using classical-statistical simulations of real-time Yang-Mills dynamics in classical thermal equilibrium. The r-dependence of the imaginary part of the potential is extracted by measuring the temporal decay of Wilson loops of spatial length r. We compare our results to continuum expressions obtained using hard thermal loop theory and to semi-analytic lattice perturbation theory calculations using the hard classical loop formalism. We find that, when plotted as a function of m D r, where m D is the hard classical loop Debye mass, the imaginary part of the heavy-quark potential shows little sensitivity to the lattice spacing at small m D r ≲ 1 and agrees well with the semi-analytic hard classical loop result. For large quark-antiquark separations, we quantify the magnitude of the non-perturbative long-range corrections to the imaginary part of the heavy-quark potential. We present our results for a wide range of temperatures, lattice spacings, and lattice volumes. This work sets the stage for extracting the imaginary part of the heavy-quark potential in an expanding non-equilibrium Yang Mills plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Differentiating Ligand Tailoring and Cation Incorporation as Strategies for Tuning Heterobimetallic Cerium Complexes

Tuning of redox-active complexes featuring metals with high coordination numbers by incorporation of secondary redox-inactive cations has received far less attention than it deserves. Here, appending moderate steric bulk to a tripodal ligand framework has been tested for its influence on secondary-cation-driven structural and electrochemical tuning of cerium, a lanthanide that tends to adopt high coordination numbers. A quasi -C 3 -symmetric cerium(III) complex denoted [Ce] has been prepared that features pendant benzyloxy groups, and this work demonstrates that this species offers a site capable of binding single Na + or Ca 2+ ions. Electrochemical and UV-visible spectroscopic studies reveal equilibrium binding affinity of [Ce] for Na + in acetonitrile solvent, contrasting with tight binding of all cations in all other previously studied systems of this type. The modulated cation binding can be attributed to the bulky benzyloxy groups, which impact the thermodynamics of cation binding but do not impede the formation of cerium centers with coordination number 8 upon binding of either Na + or Ca2 + . Finally, the Ce(IV/III) reduction potential was found to be tunable under the equilibrium binding conditions, highlighting the potentially significant role that controlled structural changes can play in modulating the solution properties of heterobimetallic complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Effects of turbulence on a kinetic auroral arc model

A plasma kinetic model of an inverted-V auroral arc structure which includes the effects of electrostatic turbulence is proposed. In the absence of turbulence, a parallel potential drop is supported by magnetic mirror forces and charge quasi neutrality, with energetic auroral ions penetrating to low altitudes; relative to the electrons, the ions' pitch angle distribution is skewed toward smaller pitch angles. The electrons energized by the potential drop form a current which excites electrostatic turbulence. In equilibrium the plasma is marginally stable. The conventional anomalous resistivity contribution to the potential drop is very small. Anomalous resistivity processes are far too dissipative to be powered by auroral particles. It is concluded that under certain circumstances equilibrium may be impossible and relaxation oscillations set in.

Cornwall, J. M.↗