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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The updated ITPA global H-mode confinement database: description and analysis

The multi-machine ITPA Global H-mode Confinement Database has been upgraded with new data from JET with the ITER-like wall and ASDEX Upgrade with the full tungsten wall. This paper describes the new database and presents results of regression analysis to estimate the global energy confinement scaling in H-mode plasmas using a standard power law. Various subsets of the database are considered, focusing on type of wall and divertor materials, confinement regime (all H-modes, ELMy H or ELM-free) and ITER-like constraints. Apart from ordinary least squares, two other, robust regression techniques are applied, which take into account uncertainty on all variables. Regression on data from individual devices shows that, generally, the confinement dependence on density and the power degradation are weakest in the fully metallic devices. Using the multi-machine scalings, predictions are made of the confinement time in a standard ELMy H-mode scenario in ITER. The uncertainty on the scaling parameters is discussed with a view to practically useful error bars on the parameters and predictions. One of the derived scalings for ELMy H-modes on an ITER-like subset is studied in particular and compared to the IPB98(y,2) confinement scaling in engineering and dimensionless form. Transformation of this new scaling from engineering variables to dimensionless quantities is shown to result in large error bars on the dimensionless scaling. Regression analysis in the space of dimensionless variables is therefore proposed as an alternative, yielding acceptable estimates for the dimensionless scaling. The new scaling, which is dimensionally correct within the uncertainties, suggests that some dependencies of confinement in the multi- machine database can be reconciled with parameter scans in individual devices. This includes vanishingly small dependence of confinement on line-averaged density and normalized plasma pressure (β), as well as a noticeable, positive dependence on effective atomic mass and plasma triangularity. Extrapolation of this scaling to ITER yields a somewhat lower confinement time compared to the IPB98(y, 2) prediction, possibly related to the considerably weaker dependence on major radius in the new scaling (slightly above linear). Further studies are needed to compare more flexible regression models with the power law used here. In addition, data from more devices concerning possible ‘hidden variables’ could help to determine their influence on confinement, while adding data in sparsely populated areas of the parameter space may contribute to further disentangling some of the global confinement dependencies in tokamak plasmas.

Database↗
DOE OSTI2025

Universality of Rényi Entropy in Conformal Field Theory

We use the thermal effective theory to prove that, for the vacuum state in any conformal field theory in 𝑑 dimensions, the 𝑛th Rényi entropy 𝑆$^{(𝑛)}_{𝐴}$ behaves as 𝑆$^{(𝑛)}_{𝐴}$ = [𝑓⁡/(2⁢𝜋⁢𝑛) 𝑑−1 ]⁢[Area⁡(∂𝐴)/(𝑑−2)⁢𝜀 𝑑−2 ]⁢(1+𝑂⁡(𝑛)) in the 𝑛 → 0 limit when the boundary of the entanglement domain 𝐴 is spherical with the UV cutoff 𝜀. The theory dependence is encapsulated in the cosmological constant 𝑓 in the thermal effective action. Using this result, we estimate the density of states for large eigenvalues of the modular Hamiltonian for the domain 𝐴. In two dimensions, we can use the hot spot idea, which describes the effective action in the high-temperature limit when the temperature is position-dependent, to derive more powerful formulas valid for arbitrary positive 𝑛. We discuss the difference between two and higher dimensions and clarify the applicability of the hot spot idea. We also use the thermal effective theory to derive an analog of the Cardy formula for boundary operators in higher dimensions.

Conformal field theory↗
DOE OSTI2020

A nonparametric approach to modeling dependence among production parameters for energy cost estimation

Dependence existing among production parameters can significantly affect energy costs. For material removal processes, processing times and material amounts to be cut have positive dependence, and the dependence can affect energy costs by varying a peak electricity load. Existing methods to model the dependence of production parameters are based on parametric approaches that cannot accurately represent the dependence due to the rigid nature of parametric models. To address this issue, this study proposes a method to quantify dependence among manufacturing parameters through the application of the empirical copula to the dependence between the milling processing time and the amount of volume to be cut. The proposed method is illustrated by a case study of a manufacturing facility consisting of milling machines; a total of 27 scenarios are simulated for energy cost estimations. The case study clearly shows that the proposed method can capture the dependence between the milling parameters more accurately than a conventional dependence measure from parametric correlation models. Furthermore, the findings from this study would be useful to estimate energy costs in that the proposed method provides a better fit to real production data than conventional parametric approaches can.

42 ENGINEERING↗
NASA NTRS1984

Time-dependent model of the Martian atmosphere for use in orbit lifetime and sustenance studies

A time-dependent model of the Martian atmosphere suitable for calculation of long-term aerodynamic effects on low altitude satellites is presented. The atmospheric model is both position dependent, through latitude and longitude effects, and time dependent. The time dependency includes diurnal and seasonal effects, effects of annual motion, long and short term solar activity effects, and periodic dust storm effects. Nine constituent gases are included in the model. Uncertainties in exospheric temperature, turbidity, and turbopause altitude are used to produce bounds on the expected density. A computer model - a Fortran subroutine which, when given the Julian date, Cartesian position of the sun and the spacecraft in aerocentric coordinates, returns the local values of mass density, temperature, scale height, and upper and lower bounds on the mass density is presented.

Culp, R. D.↗
DOE OSTI2022

Super‐Resolution Lifetime Imaging of Single Molecules Near Gold Bowtie Nanoparticles

Interactions between light and matter serve as the basis of many technologies, but the quality of these devices is inherently limited by the optical properties of their constituents. Plasmonic nanoparticles are a highly versatile and tunable platform for the enhancement of such optical properties. However, the near-field nature of these effects has made thorough study and understanding of these mechanisms difficult. In this work, we introduce a fully confocal technique combining photoswitching super-resolution microscopy with fluorescence lifetime imaging microscopy to study single-molecule decay rate enhancement. We demonstrate that the technique combines a spatial resolution better than 20 nm, and a 16 ps temporal resolution. Simultaneously, an autocorrelation measurement is also performed to confirm that the data indeed originates from single molecules. This work provides insight into the various mechanisms of plasmon-enhanced emission, and allows the study of the correlation between emission intensity and lifetime enhancement. This complicated relationship is shown to be dependent upon the relative influence of various radiative and nonradiative decay pathways. Here, we provide a platform for further study of emission mislocalization, the position-dependent prominence of different decay pathways, and the direct super-resolved measurement of the local density of states.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Direct Numerical Simulation of Wetting and Spreading Behavior on Heterogeneous and Roughened Substrates

A method of calculation is presented that allows the simulation of the time-dependent three-dimensional motion of thin liquid layers on solid substrates for systems with finite equilibrium contact angles. The contact angle is a prescribed function of position on the substrate. Similar mathematical models are constructed for substrates with a pattern of roughness. Evolution equations are given, using the lubrication approximation, that include viscous, capillary and disjoining forces. Motion to and from dry substrate regions is made possible by use of a thin energetically-stable wetting layer. We simulate motion on heterogeneous substrates with periodic arrays of high contact-angle patches. Two different problems are treated for heterogenous substrates. The first is spontaneous motion driven only by wetting forces. If the contact-angle difference is sufficiently high, the droplet can find several different stable positions, depending on the previous history of the motion. A second simulation treats a forced cyclical motion. Energy dissipation per cycle for a heterogeneous substrate is found to be larger than for a uniform substrate with the same total energy. The Landau-Levich solution for plate removal from a liquid bath is extended to account for a pattern of roughness on the plate.

Schwartz, Leonard W.↗
DOE OSTI2025

Crystallographic Evidence of Size-Dependent Bond Flexibility in Metal–Organic Framework Nanocrystals

Size-dependent electronic, magnetic, and optical behavior suggests that metal–organic frameworks become softer materials as their particle sizes decrease, but direct evidence is lacking. Here, we report variable-temperature powder X-ray diffraction data of Fe(1,2,3-triazolate)2 particles that offer crystallographic insight into size-dependent bond flexibility. Rietveld refinement reveals size-dependent positive thermal expansion upon downsizing the crystalline domains from 178 to 9 nm, with a 6-fold increase from 16 MK –1 to 96 MK –1 . Here, this behavior occurs in tandem with size-dependent elongation of metal–ligand bonds and increasing thermal displacement parameters, consistent with pronounced metal-linker bond lability. We propose that these effects, as well as size-dependent annealing of crystallite sizes, originate from the high charge density and surface stress of smaller particles. Taken together, these results provide structural evidence that size reduction serves as a synthetic route to controlling the dynamic response of materials to external stimuli.

Crystals↗
DOE OSTI2022

Super-resolution Imaging of Plasmonic Near-Fields: Overcoming Emitter Mislocalizations

Plasmonic nano-objects have shown great potential in enhancing applications like biological/chemical sensing, light harvesting and energy transfer, and optical/quantum computing. Therefore, an extensive effort has been vested in optimizing plasmonic systems and exploiting their field enhancement properties. Super-resolution imaging with quantum dots (QDs) is a promising method to probe plasmonic near-fields but is hindered by the distortion of the QD radiation pattern. Here, we investigate the interaction between QDs and “L-shaped” gold nanoantennas and demonstrate both theoretically and experimentally that this strong interaction can induce polarization-dependent modifications to the apparent QD emission intensity, polarization, and localization. Based on FDTD simulations and polarization-modulated single-molecule microscopy, we show that the displacement of the emitter’s localization is due to the position-dependent interference between the emitter and the induced dipole, and can be up to 100 nm. Our results help pave a pathway for higher precision plasmonic near-field mapping and its underlying applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Forces acting on free carriers in semiconductors of inhomogeneous composition I, II

An investigation shows that the extended Wannier-Slater theorem with its position-dependent effective mass m cannot be considered a viable description of a semiconductor with compositional changes. The correct description of the behavior of the electron or hole flow in semiconductors in which the chemical composition changes gradually from position to position is more difficult. It is necessary to find a model Hamiltonian. This model Hamiltonian is to some extent arbitry, but it must be representative of a homogeneous sample. The difference between the true and the model Hamiltonian should be small in the sense that this difference may be considered a perturbation. However, a Hamiltonian with the required specifications can always be found provided that the compositional inhomogeneities do not change drastically over the distances of interest.

Von Roos, O.↗
DOE OSTI2019

The Critical Role of Reductive Steps in the Nickel‐Catalyzed Hydrogenolysis and Hydrolysis of Aryl Ether C−O Bonds

Abstract The hydrogenolysis of the aromatic C−O bond in aryl ethers catalyzed by Ni was studied in decalin and water. Observations of a significant kinetic isotope effect ( k H / k D =5.7) for the reactions of diphenyl ether under H 2 and D 2 atmosphere and a positive dependence of the rate on H 2 chemical potential in decalin indicate that addition of H to the aromatic ring is involved in the rate‐limiting step. All kinetic evidence points to the fact that H addition occurs concerted with C−O bond scission. DFT calculations also suggest a route consistent with these observations involving hydrogen atom addition to the ipso position of the phenyl ring concerted with C−O scission. Hydrogenolysis initiated by H addition in water is more selective (ca. 75 %) than reactions in decalin (ca. 30 %).

36 MATERIALS SCIENCE↗
NASA NTRS1985

Mechanics of a gaseous film barrier to lubricant wetting of elastohydrodynamically lubricated conjunctions

Two analytical models, one based on simple hydrodynamic lubrication and the other on soft elastohydrodynamic lubrication, are presented and compared to delineate the dominant physical parameters that govern the mechanics of a gaseous film between a small droplet of lubricant and the outer race of a ball bearing. Both models are based on the balance of gravity forces, air drag forces, and air film lubrication forces and incorporate a drag coefficient C sub D and a lubrication coefficient C sub L to be determined from experiment. The soft elastohydrodynamic lubrication (EHL) model considers the effects of droplet deformation and solid-surface geometry; the simpler hydrodynamic lubrication (HL) model assumes that the droplet remains essentially spherical. The droplet's angular position depended primarily on the ratio of gas inertia to droplet gravity forces and on the gas Reynolds number and weakly on the ratio of droplet gravity forces to surface tension forces (Bond number) and geometric ratios for the soft EHL. An experimental configuration in which an oil droplet is supported by an air film on the rotating outer race of a ball bearing within a pressure-controlled chamber produced measurements of droplet angular position as a function of outer-race velocity droplet size and type, and chamber pressure.

Prahl, J. M.↗
DOE OSTI2025

Broadband optical modulation and control at millikelvin temperatures

A universal experimental challenge in studying radiation effects on cryogenic devices is precisely and accurately characterizing the position-dependent device response near the energy detection threshold. Here, we have developed a compact cryogenic optical beam steering system that can be used to generate O (μs) pulses of small numbers of photons over the energy range of 1.3–3.4 eV at room temperature, and deliver those photons via fiber optic to any specified location on the surface of a detector operating at cryogenic temperatures. This new system will allow for robust calibration of any photon-sensitive detector, including superconducting devices. The system can be used efficiently to explore the physics of target materials, quantify the position sensitivity of different sensor designs, measure phonon transport, and study the effects of quasiparticle poisoning on detector operation. We describe the design of this pulsed calibration method and present first results obtained with a second-generation system operated at room temperature and sub-Kelvin temperatures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2007

Practical Considerations for Optimizing Position Sensitivity in Arrays of Position-sensitive TES's

We are developing Position-Sensitive Transitions-Edge Sensors (PoST's) for future X-ray astronomy missions such as NASA's Constellation-X. The PoST consists of one or more Transitions Edge Sensors (TES's) thermally connected to a large X-ray absorber, which through heat diffusion, gives rise to position dependence. The development of PoST's is motivated by the desire to achieve the largest the focal-plan coverage with the fewest number of readout channels. In order to develop a practical array, consisting of an inner pixellated core with an outer array of large absorber PoST's, we must be able to simultaneously read out all (-1800) channels in the array. This is achievable using time division multiplexing (TDM), but does set stringent slew rate requirements on the array. Typically, we must damp the pulses to reduce the slew rate of the input signal to the TDM. This is achieved by applying a low-pass analog filter with large inductance to the signal. This attenuates the high frequency components of the signal, essential for position discrimination in PoST's, relative to the white noise of the readout chain and degrades the position sensitivity. Using numerically simulated data, we investigate the position sensing ability of typical PoST designs under such high inductance conditions. We investigate signal-processing techniques for optimal determination of the event position and discuss the practical considerations for real-time implementation.

Smith, Stephen J.↗
DOE OSTI2021

Cost-Performance Trade-off in thermoelectric air conditioning system with graded and constant material properties

Thermoelectric (TE) air cooling is a solid-state technology that has the potential to replace conventional vapor compression-based air conditioning. In this paper, we present a detailed system-level modeling for thermoelectric air conditioning system with position-dependent (graded) and constant material properties. Strategies for design optimization of the system are provided in terms of cost-performance trade-off. Realistic convection heat transfer at both sides of the system are taken into account in our modeling. Here, the effects of convection heat transfer coefficients, air flowrate, and thermoelectric material properties are investigated with varying key parameters such as TE leg thickness, module fill factor, and input current. Both constant material properties and graded properties are considered for the TE materials, and they are compared in terms of the degree of cooling, coefficient of performance (COP), and power consumption. For graded materials, we employ one-dimensional finite element methods to solve the coupled electrical and thermal current equations with arbitrary profile of material properties varying with position along the TE legs. We find that graded materials can enhance the degree of cooling, but only at the expense of COP, compared to the case of constant property materials. With constant material properties of ZT = 1 and relatively low electric current, the power consumption of TE coolers can be lower than those of conventional air conditioners at an equivalent cooling capacity. Considering additional advantages such as demand-flexible operation, low noise, and high scalability, thermoelectric cooling could be a competitive technology for future air conditioning applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Molecular Dynamics Simulation Study of the Protonation State Dependence of Glutamic Acid Transport through a Cyclic Peptide Nanotube

The effect of the protonation state of glutamic acid on its translocation through cyclic peptide nanotubes (CPNs) was assessed by using molecular dynamics (MD) simulations. Anionic (GLU–), neutral zwitterionic (GLU0), and cationic (GLU+) forms of glutamic acid were selected as three different protonation states for an analysis of energetics and diffusivity for acid transport across a cyclic decapeptide nanotube. Based on the solubility-diffusion model, permeability coefficients for the three protonation states of the acid were calculated and compared with experimental results for CPN-mediated glutamate transport through CPNs. Potential of mean force (PMF) calculations reveal that, due to the cation-selective nature of the lumen of CPNs, GLU–, so-called glutamate, shows significantly high free energy barriers, while GLU+ displays deep energy wells and GLU0 has mild free energy barriers and wells inside the CPN. The considerable energy barriers for GLU– inside CPNs are mainly attributed to unfavorable interactions with DMPC bilayers and CPNs and are reduced by favorable interactions with channel water molecules through attractive electrostatic interactions and hydrogen bonding. Unlike the distinct PMF curves, position-dependent diffusion coefficient profiles exhibit comparable frictional behaviors regardless of the charge status of three protonation states due to similar confined environments imposed by the lumen of the CPN. The calculated permeability coefficients for the three protonation states clearly demonstrate that glutamic acid has a strong protonation state dependence for its transport through CPNs, as determined by the energetics rather than the diffusivity of the protonation state. In addition, the permeability coefficients also imply that GLU– is unlikely to pass through a CPN due to the high energy barriers inside the CPN, which is in disagreement with experimental measurements, where a considerable amount of glutamate permeating through the CPN was detected. To resolve the discrepancy between this work and the experimental observations, several possibilities are proposed, including a large concentration gradient of glutamate between the inside and outside of lipid vesicles and bilayers in the experiments, the glutamate activity difference between our MD simulations and experiments, an overestimation of energy barriers due to the artifacts imposed in MD simulations, and/or finally a transformation of the protonation state from GLU– to GLU0 to reduce the energy barriers. Altogether, our study demonstrates that the protonation state of glutamic acid has a strong effect on the transport of the acid and suggests a possible protonation state change for glutamate permeating through CPNs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Challenges in Continuous In-Field Critical Current Testing of High-Temperature Superconducting Tapes: Thermal and Mechanical Perspectives

High-temperature superconductors (HTS) are essential for ultra-high-field applications requiring exceptional current-carrying capacity under extreme conditions. However, systematic characterization of critical current in long-length conductors remains challenging due to complex thermal, electromag netic, and mechanical interactions during continuous testing. This study reports the development of a continuous in-field magnetization testing system for position-dependent critical current measurement in HTS tapes at 20 K under 7.5 T fields applied normal to the tape plane, enabling identification of performance-limiting regions that could compromise magnet stability. Here, the system addresses two fundamental challenges inherent to cryogenic reel to-reel testing. First, thermal management requires continuous cooling of a moving conductor to 20 K, achieved through liquid nitrogen precooling combined with a 100 W@20 K Gifford McMahon cryocooler. Second, screening currents in high fields generate Lorentz forces that induce twisting, bowing, and potential delamination. To mitigate these risks, we propose mechanical reinforcement and active current density suppression strategies. Numerical simulations using the stream function formulation reveal four primary failure modes: frictional heating at guide interfaces, unstable equilibria causing deformation, transverse current-induced stresses at guide transitions, and unsupported forces in vertical spans. Our mitigation strategies include PTFE coated guides to minimize friction, spring-loaded stabilization mechanisms to maintain tape alignment, controlled pre-heating using the liquid nitrogen thermal jacket to suppress critical current at stress points, and optimized guide positioning to minimize force accumulation. The experimental system is nearing completion, with testing planned to commence within two months. Preliminary validation at 65 K under 0.5 T demonstrates strong correlation between simulation-predicted mechanical instabilities and observed critical current variations during conductor tran sitions through the measurement region. These findings establish a robust foundation for quality assurance protocols essential to next-generation superconducting magnet applications.

Chen, Siwei [Princeton Plasma Physics Laboratory (↗
DOE OSTI2023

Integrable field theories and their CCFT duals

We compute the Mellin transforms of various two-dimensional integrable S-matrices, providing the first explicit, non-perturbative realizations of celestial CFT. In two dimensions, the Mellin transform is simply the Fourier transform in rapidity space, and the “celestial correlator” has no position dependence. The simplified setting allows us to study the analytic properties of CCFT correlators exactly as a function of the conformal dimensions. We find that the correlators exist as real distributions of the conformal weights, with asymptotics controlled by the mass spectrum and three-point couplings of the model. Coupling these models to a flat space limit of JT gravity preserves integrability and dresses the amplitudes by a rapidly varying gravitational phase. We find that the coupling to gravity smooths out certain singular aspects of the Mellin-transformed correlators.

2D Gravity↗
DOE OSTI2024

Peridynamic Models for Random Media Found by Coarse Graining

Using coarse graining, the upscaled mechanical properties of a solid with small scale heterogeneities are derived. The method maps internal forces at the small scale onto peridynamic bond forces in the coarse grained mesh. These upscaled bond forces are used to calibrate a peridynamic material model with position-dependent parameters. These parameters incorporate mesoscale variations in the statistics of the small scale system. The upscaled peridynamic model can have a much coarser discretization than the original small scale model, allowing larger scale simulations to be performed efficiently. The convergence properties of the method are investigated for representative random microstructures. In conclusion, a bond breakage criterion for the upscaled peridynamic material model is also demonstrated.

36 MATERIALS SCIENCE↗