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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Mercury embrittlement of Cu-Al alloys under cyclic loading

The effect of mercury on the room temperature, high cycle fatigue properties of three alloys: Cu-5.5 pct Al, Cu-7.3 pct Al, and Cu-6.3 pct Al-2.5 pct Fe has been determined. Severe embrittlement under cyclic loading in mercury is associated with rapid crack propagation in the presence of the liquid metal. A pronounced grain size effect is noted under mercury, while fatigue properties in air are insensitive to grain size. The fatigue results are discussed in relation to theories of adsorption-induced liquid metal embrittlement.

Regan, T. M.↗
DOE OSTI2024

Understanding the effect of refractory metal chemistry on the stacking fault energy and mechanical property of Cantor-based multi-principal element alloys

Multi-principal-element alloys (MPEAs) based on 3d-transition metals show remarkable mechanical properties. In this study, the stacking fault energy (SFE) in face-centered cubic (fcc) alloys is a critical property that controls underlying deformation mechanisms and mechanical response. Here, we present an exhaustive density-functional theory study on refractory- and copper-reinforced Cantor-based systems to ascertain the effects of refractory metal chemistry on SFE. We find that even a small percent change in refractory metal composition significantly changes SFEs, which correlates favorably with features like electronegativity variance, size effect, and heat of fusion. For fcc MPEAs, we also detail the changes in mechanical properties, such as bulk, Young's, and shear moduli, as well as yield strength. A Labusch-type solute-solution-strengthening model was used to evaluate the temperature-dependent yield strength, which, combined with SFE, provides a design guide for high-performance alloys. We also analyzed the electronic structures of two down-selected alloys to reveal the underlying origin of optimal SFE and strength range in refractory-reinforced fcc MPEAs. These new insights on tuning SFEs and modifying composition-structure-property correlation in refractory- and copper-reinforced MPEAs by chemical disorder, provide a chemical route to tune twinning- and transformation-induced plasticity behavior in fcc MPEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nature of the nonequilibrium phase transition in the non-Markovian driven Dicke model

The Dicke model famously exhibits a phase transition to a superradiant phase with a macroscopic population of photons and is realized in multiple settings in open quantum systems. In this paper, we study a variant of the Dicke model where the cavity mode is lossy due to the coupling to a Markovian environment while the atomic mode is coupled to a colored bath. We analytically investigate this model by inspecting its low-frequency behavior via the Schwinger-Keldysh field theory and carefully examine the nature of the corresponding superradiant phase transition. Integrating out the fast modes, we can identify a simple effective theory allowing us to derive analytical expressions for various critical exponents including the dynamical exponent. We find excellent agreement with previous numerical results when the non-Markovian bath is at zero temperature; however, contrary to these studies, our low-frequency approach reveals that the same exponents govern the critical behavior when the colored bath is at finite temperature unless the chemical potential is zero. Furthermore, we show that the superradiant phase transition is classical in nature, while it is genuinely nonequilibrium. In this work, we derive a fractional Langevin equation and conjecture the associated fractional Fokker-Planck equation that captures the system's long-time memory as well as its nonequilibrium behavior. Finally, we consider finite-size effects at the phase transition and identify the finite-size scaling exponents, unlocking a rich behavior in both statics and dynamics of the photonic and atomic observables.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Horizon radiation reaction forces

Using Effective Field Theory (EFT) methods, we compute the effects of horizon dissipation on the gravitational interactions of relativistic binary black hole systems. We assume that the dynamics is perturbative, i.e it admits an expansion in powers of Newton’s constant (post-Minkowskian, or PM, approximation). As applications, we compute corrections to the scattering angle in a black hole collision due to dissipative effects to leading PM order, as well as the post-Newtonian (PN) corrections to the equations of motion of binary black holes in non-relativistic orbits, which represents the leading order finite size effect in the equations of motion. The methods developed here are also applicable to the case of more general compact objects, eg. neutron stars, where the magnitude of the dissipative effects depends on non-gravitational physics (e.g, the equation of state for nuclear matter).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Systems engineering studies of on-orbit assembly operation

While the practice of construction has a long history, the underlying theory of construction is relatively young. Very little has been documented as to techniques of logistic support, construction planning, construction scheduling, construction testing, and inspection. The lack of 'systems approaches' to construction processes is certainly one of the most serious roadblocks to the construction of space structures. System engineering research efforts at CSC are aimed at developing concepts and tools which contribute to a systems theory of space construction. The research is also aimed at providing means for trade-offs of design parameters for other research areas in CSC. Systems engineering activity at CSC has divided space construction into the areas of orbital assembly, lunar base construction, interplanetary transport vehicle construction, and Mars base construction. A brief summary of recent results is given. Several models for 'launch-on-time' were developed. Launch-on-time is a critical concept to the assembly of such Earth-orbiting structures as the Space Station Freedom, and to planetary orbiters such as the Mars transfer vehicle. CSC has developed a launch vehicle selection model which uses linear programming to find optimal combinations of launch vehicles of various sizes (Atlas, Titan, Shuttles, HLLV's) to support SEI missions. Recently, the Center developed a cost trade-off model for studying on orbit assembly logistics. With this model it was determined that the most effective size of the HLLV would be in the range of 120 to 200 metric tons to LEO, which is consistent with the choices of General Stafford's Synthesis Group Report. A second-generation Dynamic Construction Activities Model ('DYCAM') process model has been under development, based on our past results in interruptability and our initial DYCAM model. This second-generation model is built on the paradigm of knowledge-based expert systems. It is aimed at providing answers to two questions: (1) what are some necessary or sufficient conditions for judging conceptual designs of spacecraft?, and (2) can a methodology be formulated such that these conditions may be used to provide computer-aided tools for evaluating conceptual designs and planning for space assembly sequences? Early simulation results indicate that the DYCAM model has a clear ability to emulate and simulate human orbital construction processes.

Morgenthaler, George W.↗
DOE OSTI2021

Size-dependent radiation damage mechanisms in nanowires and nanoporous structures

Nanostructures with a high density of interfaces, such as in nanoporous materials and nanowires, resist radiation damage by promoting the annihilation and migration of defects. This study details the size effect and origins of the radiation damage mechanisms in nanowires and nanoporous structures in model face-centered (gold) and body-centered (niobium) cubic nanostructures using accelerated multi-cascade atomistic simulations and in-situ ion irradiation experiments. Our results reveal three different size-dependent mechanisms of damage accumulation in irradiated nanowires and nanoporous structures: sputtering for very small nanowires and ligaments, the formation and accumulation of point defects and dislocation loops in larger nanowires, and a face-centered-cubic to hexagonal-close-packed phase transformation for a narrow range of wire diameters in the case of gold nanowires. Smaller nanowires and ligaments have a net effect of lowering the radiation damage as compared to larger wires that can be traced back to the fact that smaller nanowires transition from a rapid accumulation of defects to a saturation and annihilation mechanism at a lower dose than larger nanowires. These irradiation damage mechanisms are accompanied with radiation-induced surface roughening resulting from defect-surface interactions. Comparisons between nanowires and nanoporous structures show that the various mechanisms seen in nanowires provide adequate bounds for the defect accumulation mechanisms in nanoporous structures with the difference attributed to the role of nodes connecting ligaments in nanoporous structures. Altogether, our results shed light on the compounded, size-dependent mechanisms leading to the radiation resistance of nanowires and nanoporous structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantifying the Effect of Pore‐Size Dependent Wettability on Relative Permeability Using Capillary Bundle Model

Abstract Relative permeability is a key parameter for characterizing the multiphase flow dynamics in porous media at macroscopic scale while it can be significantly impacted by wettability. Recently, it has been reported in microfluidic experiments that wettability is dependent on the pore size (Van Rooijen et al., 2022). To investigate the effect of pore‐size‐dependent wettability on relative permeability, we propose a theoretical framework informed by digital core samples to quantify the deviation of relative permeability curves due to wettability change. We find that the significance of impact is highly dependent on two factors: (i) the function between contact angle and pore size (ii) overall pore size distribution. Under linear function, this impact can be significant for tight porous media with a maximum deviation of 1,000%.

Yu, Siqin↗
DOE OSTI2024

Supramolecular assembly of polycation/mRNA nanoparticles and in vivo monocyte programming

Size-dependent phagocytosis is a well-characterized phenomenon in monocytes and macrophages. However, this size effect for preferential gene delivery to these important cell targets has not been fully exploited because commonly adopted stabilization methods for electrostatically complexed nucleic acid nanoparticles, such as PEGylation and charge repulsion, typically arrest the vehicle size below 200 nm. Here, we bridge the technical gap in scalable synthesis of larger submicron gene delivery vehicles by electrostatic self-assembly of charged nanoparticles, facilitated by a polymer structurally designed to modulate internanoparticle Coulombic and van der Waals forces. Specifically, our strategy permits controlled assembly of small poly(β-amino ester)/messenger ribonucleic acid (mRNA) nanoparticles into particles with a size that is kinetically tunable between 200 and 1,000 nm with high colloidal stability in physiological media. We found that assembled particles with an average size of 400 nm safely and most efficiently transfect monocytes following intravenous administration and mediate their differentiation into macrophages in the periphery. When a CpG adjuvant is co-loaded into the particles with an antigen mRNA, the monocytes differentiate into inflammatory dendritic cells and prime adaptive anticancer immunity in the tumor-draining lymph node. This platform technology offers a unique ligand-independent, particle-size-mediated strategy for preferential mRNA delivery and enables therapeutic paradigmsviamonocyte programming.

Science & Technology - Other Topics↗
DOE OSTI2024

Budget-Constrained Sizing of Renewable and Energy Storage Systems for Farm-Scale Ammonia Production Within the Food-Energy-Water Nexus

In the transition toward sustainable agriculture, farms have emerged as eco-friendly pioneers, harnessing clean hybrid wind and solar systems to improve farm performance. A concern in this paradigm is the effective sizing of renewable energy systems to ensure optimal energy use within budget considerations. This research focuses on optimizing renewable energy sizing in small-scale ammonia production to meet specific farm demands and enhance local resilience, emphasizing the interplay between environmental and economic factors. These findings promise increased energy efficiency and sustainability in this innovative agricultural sector. Additionally, our approach considers small-scale ammonia plant needs and the dynamic relationships between ammonia, water, and farm demands. Simulations demonstrate substantial cost savings in farm electricity consumption. Specifically, scenarios with renewable energy integration in the farm can reduce at least 13% electricity cost compared to a grid-dependent system in the 15-year simulation.

ammonia↗
NASA NTRS2002

Competing Classical and Quantum Effects in Shape Relaxation of a Metallic Island

Pb islands grown on a silicon substrate transform at room temperature from the initially flattop facet geometry into an unusual ring, shape with a volume-preserving mass transport process catalysed by the tip electrical field of a scanning tunnelling microscope. The formation of such ring shape morphology results from the competing classical and quantum effects in the shape relaxation. The latter also leads to a sequential regrowth on alternating, strips of the same facet defined by the underlying substrate steps, showing for the first time the dynamical impact of the quantum size effect on the stability of a nanostructure.

Okamoto, Rowland H.↗
DOE OSTI2025

Techno-Economic Analysis for the Addition of a Thermal Energy Storage System to a Central Plant

Increasing energy demand and rising peak loads present significant challenges for energy management in commercial and institutional settings. As climate change drives greater cooling needs, central plants must navigate the complex tradeoffs between operational efficiency, cost control, and grid stability. Thermal energy storage (TES) systems offer a viable solution by shifting energy consumption from peak to off-peak periods, thereby reducing peak demand, lowering utility expenses, and improving grid resilience. However, the success of TES implementation hinges on appropriate system sizing, effective control strategies, and alignment with local utility rate structures. This article presents a techno-economic analysis of integrating a chilled water TES system into the central plant at California State University, Dominguez Hills. Drawing on historical load profiles and utility tariffs, we assess three TES sizing approaches and their corresponding control strategies from both energy and economic perspectives. This article utilizes a model-based approach to assess the impact of TES sizing and control strategies on the techno-economic feasibility of integrating TES into an existing central plant. The models employed for this analysis were calibrated using 4 years of historical data. Here, the results demonstrated that utility tariffs and the campus's operational profiles dictate the most feasible sizing and control methods. The findings offer valuable insights for institutions and commercial building managers exploring sustainable energy solutions. By demonstrating how optimized TES strategies can improve operational efficiency while achieving financial savings, this study highlights the potential for TES to align performance with cost effectiveness in real-world applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1985

The effects of grain size on the flow and fracture of long-range ordered alloys

The effects of grain size on the mechanical properties of long-range ordered alloys are examined with reference to the short-term behavior of aluminide intermetallics. It is shown that in those L1(2) alloys which exhibit anomalous thermal strengthening, the grain size affects the magnitude of the strengthening. In some cases it also affects ductility, whereby the tensile elongation and the tensile strength increase as the grain size decreases below a critical point. It is also believed that grain size may affect the partitioning of microalloying elements, such as boron, in Ni3Al.

Schulson, E. M.↗
DOE OSTI2021

Vapor–liquid equilibrium of water with the MB-pol many-body potential

Among the many existing molecular models of water, the MB-pol many-body potential has emerged as a remarkably accurate model, capable of reproducing thermodynamic, structural, and dynamic properties across water's solid, liquid, and vapor phases. In this work, we assessed the performance of MB-pol with respect to an important set of properties related to vapor-liquid coexistence and interfacial behavior. Through direct coexistence classical molecular dynamics simulations at temperatures of 400 K < T < 600 K, we calculated properties such as equilibrium coexistence densities, vapor-liquid interfacial tension, vapor pressure, and enthalpy of vaporization and compared the MB-pol results to experimental data. We also compared rigid vs fully flexible variants of the MB-pol model and evaluated system size effects for the properties studied. We found that the MB-pol model predictions are in good agreement with experimental data, even for temperatures approaching the vapor-liquid critical point; this agreement was largely insensitive to system sizes or the rigid vs flexible treatment of the intramolecular degrees of freedom. Furthermore, these results attest to the chemical accuracy of MB-pol and its high degree of transferability, thus enabling MB-pol's application across a large swath of water's phase diagram.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Dephasing of ion beams as magnetic vortex acceleration regime transitions into a bubble-like field structure

The interaction of an ultra-intense laser pulse with a near critical density target results in the formation of a plasma channel, a strong azimuthal magnetic field and moving vortices. An application of this is the generation of energetic and collimated ion beams via magnetic vortex acceleration. The optimized regime of magnetic vortex acceleration is becoming experimentally accessible with new high intensity laser beamlines coming online and advances made in near critical density target fabrication. The robustness of the acceleration mechanism with realistic experimental conditions is examined with three-dimensional simulations. Of particular interest is the acceleration performance with different laser temporal contrast conditions, in some cases leading to pre-expanded target profiles prior to the arrival of the main pulse. Preplasma effects on the structure of the accelerating fields are explored, including a detailed analysis of the ion beam properties and the efficiency of the process. Improved scaling laws for the magnetic vortex acceleration mechanism, including the laser focal spot size effects, are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots

Quantum confined uncapped and chitosan capped nanoparticles of ZnAl 2 O 4 synthesized by microwave-assisted sol–gel method were investigated by structural analysis and optical techniques. X-ray diffraction studies confirmed the formation of cubic spinels with crystallite size 4.5 nm and 3.4 nm, respectively for uncapped and chitosan capped ZnAl 2 O 4 nanoparticles. Chitosan capping produced a blue shift in bandgap energy (3.84 to 3.94 eV) agreeing with size effects according to the Brus equation. A blue shift in emission peak and enhancement in photoluminescence intensity was also observed upon chitosan capping. The electronic band structure and the density of states of the bulk spinel were also calculated using density functional theory. The effective masses of electrons and holes estimated based on the band structure were used to extract the excitonic Bohr radius.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Novel effects of grain size and ion implantation on grain boundary segregation in ion irradiated austenitic steel

Nuclear reactor environments are extreme in nature due to the combination of exposure to corrosive coolant, mechanical stresses, and neutron irradiation damage. This combination of environments can lead to irradiation induced/assisted precipitation, segregation, and embrittlement coupled with enhanced creep and stress corrosion cracking. While nanostructured materials are of interest in a variety of applications due to their unique properties including high mechanical strength, for nuclear applications nanostructured materials have the added benefit of irradiation resistance due to the high volume density of sinks for irradiation-induced defects. In this study, we show unique radiation-induced segregation (RIS) behavior in nanocrystalline 304 stainless steel (SS304). Typical RIS in austenitic steels includes Ni enrichment and Cr depletion within the grain boundaries. In nanostructured SS304 this RIS is reduced. Furthermore, interestingly, some grain boundaries in the nanocrystalline SS304 in this study were found to be enriched in Cr after Fe 2+ ion irradiation at 500 °C up to 50 displacements per atom (dpa). To understand this unique observation, lattice-based atomic kinetic Monte Carlo simulations were performed to investigate the effects of grain size, thermal segregation, as well as injected interstitials (introduced as Fe self-ions). The results indicate that the Cr enrichment at grain boundaries may be caused by combined effects of grain size, self-ion injection and preferential Cr diffusion via the interstitial mechanism. In conclusion, the findings also suggest a possible difference in RIS between ion and neutron irradiations.

36 MATERIALS SCIENCE↗
NASA NTRS2012

First Keck Nulling Observations of a Young Stellar Object: Probing the Circumstellar Environment of the Herbig Ae star MWC 325

We present the first N-band nulling plus K- and L-band V(sup 2) observations of a young stellar object, MWC325, taken with the 85 m baseline Keck Interferometer. The Keck nuller was designed for the study of faint dust signatures associated with debris disks, but it also has a unique capability for studying the temperature and density distribution of denser disks found around young stellar objects. Interferometric observations of MWC 325 at K, L and N encompass a factor of five in spectral range and thus, especially when spectrally dispersed within each band, enable characterization of the structure of the inner disk regions where planets form. Fitting our observations with geometric models such as a uniform disk or a Gaussian disk show that the apparent size increases monotonically with wavelength in the 2-12 micrometer wavelength region, confirming the widely held assumption based on radiative transfer models, now with spatially resolved measurements over broad wavelength range, that disks are extended with a temperature gradient. The effective size is a factor of about 1.3 and 2 larger in the Lband and N-band, respectively, compared to that in the K-band. The existing interferometric measurements and the spectral energy distribution can be reproduced by a flat disk or a weakly shadowed nearly flat-disk model, with only slight flaring in the outer regions of the disk, consisting of representative "sub-micron" (0.1 micron) and "micron" (2 micron) grains of a 50:50 ratio of silicate and graphite. This is marked contrast with the disks previously found in other Herbig Ae/Be stars suggesting a wide variety in the disk properties among Herbig Ae/Be stars.

Ragland, S.↗