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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 91 records · Page 5

Modeling the pseudogap metallic state in cuprates: Quantum disordered pair density wave

We present a way to quantum-disorder a pair density wave and propose it to be a candidate of the effective low-energy description of the pseudogap metal which may reveal itself in a sufficiently high magnetic field that suppresses the d-wave pairing. The ground state we construct is a small-pocket Fermi liquid with a bosonic Mott insulator in the density-wave-enlarged unit cell. At low energy, the charge density is mainly carried by charge 2e bosons, which develop a small insulating gap. As an intermediate step, we discuss the quantum disordering of a fully gapped superconductor and its excitation spectrum. A simplified 1D model, which we solve numerically, is used to illustrate the introduced concepts. Here, we discuss a number of experimental consequences. The interplay between the electron and the small-gap boson results in a step-function background in the electron spectral function which may be consistent with existing angle-resolved photoemission spectroscopy data. Optical excitation across the boson gap can explain the onset and the magnitude of the mid infrared absorption reported long ago.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Extreme matter meets extreme gravity: Ultraheavy neutron stars with phase transitions

The speed of sound of the matter within neutron stars may contain nonsmooth structure related to first- or higher-order phase transitions. Here we investigate what are the observable consequences of structure in the speed of sound, such as bumps, spikes, step functions, plateaus, and kinks. One of the main consequences is the possibility of ultraheavy neutron stars (with masses larger than 2.5 solar masses), mass twins in heavy (with masses larger than 2 solar masses) and ultraheavy neutron stars. These stars pass all observational and theoretical constraints, including those imposed by recent LIGO/Virgo gravitational-wave observations and NICER x-ray observations. Here we thoroughly investigate other consequences of this structure in the speed of sound to develop an understanding of how nonsmooth features affect astrophysical observables, such as stellar radii, tidal deformability, moment of inertia, and Love number. Our results have important implications for future gravitational wave and x-ray observations of neutron stars and their impact in nuclear astrophysics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Synthesis and Molecular Structures of (3-Hydroxy, 3-Chloro, 3-Arylamino)-N-acetyl-3-arylaminotropones

The structures of 5,7-di(tert-butyl)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)-3-hydroxytropone, 5,7-di(tert-butyl)-3-chloro-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone, 5,7-di(tert-butyl)- 3-(3,5-dimethylphenylamino)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone, and 3-(N-acetyl-3,5- dimethylphenylamino)-5,7-di(tert-butyl)-2-(5,8-dimethyl-4-piperidinoquinolin-2-yl)tropone were determined by X-ray diffraction. These compounds were synthesized through a series of transformations, including the nucleophilic substitution of the chlorine atom by piperidine in the starting 5,7-di(tert-butyl)-2-(4- chloroquinolin-2-yl)-3-hydroxytropone followed by the three-step functionalization of the 3-position in 3-hydroxytropone. The nature of dynamic processes in a solution of N-acetyl-3-arylaminotropone associated with the rotation of the N-acetyl group was revealed by the PCM/PBE0/6-31G(d,p) method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Study of Globus-M Tokamak Poloidal System and Plasma Position Control

In order to provide efficient performance of tokamaks with vertically elongated plasma position, control systems for limited and diverted plasma configuration are required. The accuracy, stability, speed of response, and reliability of plasma position control as well as plasma shape and current control depend on the performance of the control system. Therefore, the problem of the development of such systems is an important and actual task in modern tokamaks. In this study, the measured signals from the magnetic loops and Rogowski coils are used to reconstruct the plasma equilibrium, for which linear models in small deviations are constructed. We apply methods of the H∞-optimization theory to the synthesize control system for vertical and horizontal position of plasma capable to working with structural uncertainty of the models of the plant. These systems are applied to the plasma-physical DINA code which is configured for the tokamak Globus-M plasma. The testing of the developed systems applied to the DINA code with Heaviside step functions have revealed the complex dynamics of plasma magnetic configurations. Being close to the bifurcation point in the parameter space of unstable plasma has made it possible to detect an abrupt change in the X-point position from the top to the bottom and vice versa. Development of the methods for reconstruction of plasma magnetic configurations and experience in designing plasma control systems with feedback for tokamaks provided an opportunity to synthesize new digital controllers for plasma vertical and horizontal position stabilization. It also allowed us to test the synthesized digital controllers in the closed loop of the control system with the DINA code as a nonlinear model of plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Portable Sample Preparation For Chemical and Biological Analysis

Preparing samples for chemical or biological analysis is often time consuming and a critical step function to assure an accurate analysis. This invention provides an automated, hands-free, highly accurate device to prepare industrial, chemical, or biological samples for instrumental analysis methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling DOE Standard Canister Configurations with Updated Surface Chemistry

Road-ready and final disposition packaging configurations for the advanced test reactor (ATR) fuel currently specifies storage within helium backfilled DOE sealed standard canisters. The aluminum cladding of the ATR fuel contains an oxyhydroxide layer of boehmite/bayerite that generates hydrogen when subjected to irradiation. Understanding the effect of this hydrogen buildup over time to important for long term storage considerations. Previous modeling efforts have built a coupled CFD-chemical model to simulate the temperature gas phase concentrations within the DOE sealed standard canisters. These models have coupled the temperature conditions to both the gas phase radiolysis chemistry and the surface chemistry associated with the oxyhydroxide layer. Continued experimental work has identified trends for aluminum surrogate samples with oxyhydroxide layers for tests done at higher dose rates. At low initial doses a fast generation rate of hydrogen occurs which starts to roll over to a lower generation rate as the total dose applied in increased. A previous study created a small-scale chemical model was built to replicate a mini-canister surrogate system at SRNL as well as for the smaller capsule tests performed at INL. The previous iteration of the model utilized step function for its G-values for the hydrogen generation over a 200-year period. This model makes an update to the surface chemistry to account for theorized surface chemistry reactions allowing for oxygen to remain bounded to the oxyhydroxide layer. As additional experiments continue, the kinetic fits may be adjusted to adapt to new data. Three canister configurations are modeled – the base 18-inch, 15-foot DOR standard canister with 30 ATR fuel elements, an 18-inch, 10-foot DOE standard canister with 32 ATR fuel elements and a 24-inch, 10-foot DOE standard canister with 40 ATR fuel elements. In previous reports, the primary sensitivity of the canister conditions was identified as the decay heat of the fuel and the dried condition of the fuel. Only these parameters are studied in the report. For the nominal case with dried fuel, the hydrogen generation is only about 2%, so it is even less than the flammability limit if it were exposed to oxygen. For the densely packed 18-inch case the total hydrogen concentration is only around 4% with the nominal decay heat. For the densely packed 24-inch case the total hydrogen concentration is only 2.5%, roughly 20% higher than the original packing design, and still under flammability conditions if exposed to oxygen.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Quarterly Research Performance Progress Report (Q8)

As part of Task 1, we have started by testing our modeling capabilities by reproducing isothermal DFIT simulations presented in the literature. Once satisfied with the results we have started by targeting the modeling of the DFITs at conducted at well 58-32. We have a identified a specific test (cycle 4 in zone 2) as the most interesting to be model with GEOS hydraulic fracturing module. Thus, we have first produced results with an isothermal model and adjusted model parameters to get a satisfying match with field pressure data. The, we have added thermal effects and compared the modeling results with and without thermal effects to estimate how thermal effects may influence test interpretation. Models seem to suggest that, for small volumes of fluid, thermal effects are moderate. In Task 2, we have adapted GEOS phase-field formulation to be able to simulate near-wellbore hydraulic fracture nucleation and propagation. We have devised a novel formulation that, compared to other existing ones, incorporates rock strengths. We have submitted a journal publication about our work. We are currently employing this phase-field formulation to model the experiments taking place at U Pitt and help us understand the effect of various parameters. In Task 3, we have built a model of the region surround well 16A and have started modeling stage 3 stimulation because of its simpler planar geometry. After calibrating simulation parameters using known analytical solutions, we have simulated the stage 3 stimulation using our isothermal hydraulic fracturing module, varying the permeability field, the stress conditions including different physics to get a better understanding of the numerical challenges and of the effects of varying these parameters on the simulation results. In Task 4 laboratory experimentation, a set of specialized drilling and injection tools has been customized and constructed to accommodate an inclined well with an orientation of up to 30 degrees relative to material anisotropy or principal stress axes. These inclined samples have also undergone thermal stress and hydraulic fracturing at a temperature of 190 degrees Celsius. Furthermore, both vertical and deviated sampling testing setups enable an extended analysis of post-peak pressure behaviors, facilitating post-test pressure analyses such as the G-function, step rate, and fracture reopening measurements. Thus, the key components of in-situ stress estimation can be extracted and validated through our experiment, providing a solid foundation for validating existing in-situ stress estimation theories or proposing new ones. Simultaneously, we are integrating computer vision techniques with traditional experimental fracture observation methods such as multi-overcore/slicing and water-penetration fracture observation. This combination will prove beneficial in populating the hydraulic fracture patterns database, generated under challenging EGS conditions. This approach aims to deepen our understanding of the complexities in EGS reservoirs and pave the way for future data-driven investigations. Additionally, PITT has also equipped the ELE International compression machine, which is now prepared for conducting indirect tensile and fracture toughness tests. These tests will aid in characterizing how rock fabrics influence the resulting fracture patterns. Additionally, we have completed the required personnel training and gained access to Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) for conducting more detailed characterization and analysis of rock fabrics, as well as the examination of thermal and hydraulically induced fracture patterns. Thus, the PITT team has effectively demonstrated the capabilities of our experimental apparatuses in exploring the thermal effects, well deviation angles, material anisotropy, and operational choices (such as circulation rate, injection fluid viscosity, and injection rate) and their impact on pressure responses and fracture trajectories under the Utah FORGE conditions.

15 GEOTHERMAL ENERGY↗

Characterizing Artificial Viscosity Parameters with Approximate Symmetries

We are often faced with trying to capture the physics of compressible shocks, which are governed by the Euler equations. However, Euler shocks are formally discontinuous at the shock front (translating to a step-function behavior of rel evant flow variables). This poses a practical problem for codes with finite-sized grid elements. As a result, one must make a concession in simulating the be havior of shocks within a discrete framework. In particular, we must blur, or ‘regularize’ Euler shocks so that they may be captured on a finite grid.

97 MATHEMATICS AND COMPUTING↗

The Dependence of Convective Core Overshooting on Stellar Mass: A Semi-empirical Determination Using the Diffusive Approach with Two Different Element Mixtures

Convective core overshooting has a strong influence on the evolution of stars of moderate and high mass. Studies of double-lined eclipsing binaries and stellar oscillations have renewed interest in the possible dependence of overshooting on stellar mass, which has been poorly constrained by observations so far. Here, we have used a sample of 29 well-studied double-lined eclipsing binaries in key locations of the H–R diagram to establish the explicit dependence of f{sub ov} on mass, where f{sub ov} is the free parameter in the diffusive approximation to overshooting. Measurements of the masses, radii, and temperatures of the binary components were compared against stellar evolution calculations based on the MESA code to infer semi-empirical values of f{sub ov} for each component. We find a clear mass-dependence such that f{sub ov} rises sharply from zero in the range 1.2--2.0 M{sub ⊙}, and levels off thereafter up to the 4.4 M{sub ⊙} limit of our sample. Tests with two different element mixtures indicate the trend is the same, and we find it to also be qualitatively similar to the one established in our previous study with the classical step-function implementation of overshooting characterized by the free parameter α{sub ov}. Based on these measurements, we infer an approximate relationship between the two overshooting parameters of α{sub ov}/f{sub ov}=11.36±0.22, with a possible dependence on stellar properties.

79 ASTRONOMY AND ASTROPHYSICS↗

Generation and Life Cycle of Solar Spicules

The physical mechanism for the creation of solar spicules is proposed with three stages of their life cycle. It is assumed that at stage I the density hump is formed locally in the x-y plane in the lower chromosphere in the presence of temperature gradients of electrons and ions along the z-axis (the vertical direction). In this region, the density structure of quasi-neutral (n i ≃ n e = n) plasma after taking birth is accelerated in the vertical direction owing to the thermal force F th ∝ ∇n(x, y, t) × (∇T e + ∇T i ). The exact time-dependent analytical solution of two-fluid plasma equations is presented assuming that density is maximum at the center of the density structure and decays away from it gradually. The 2D density structure is created as a step function H(t) in time at the bottom of the chromosphere, and consequently, the vertical plasma velocity turns out to be the ramp function of time R(t) = tH(t), whereas the source term S(x, y, t) for the density follows the delta function δ(t) form. The upward acceleration a = a(x, y) $\hat{z}$ produced in this density structure is greater than the downward constant solar acceleration −g ⊙ in the chromosphere. In the transition region, the temperature gradients are steeper; therefore, the upward acceleration increases in magnitude g ⊙ ≪ a and the density hump spends less time there. This is stage II of its life cycle. In stage III, the density structure enters into the corona, where the gradients of temperatures vanish and the structure decelerates to zero velocity under the action of the solar gravitational force.

79 ASTRONOMY AND ASTROPHYSICS↗

Entity—Hardware-agnostic Particle-in-cell Code for Plasma Astrophysics. I. Curvilinear Special Relativistic Module

Entity is a new-generation, fully open-source particle-in-cell (PIC) code developed to overcome key limitations in astrophysical plasma modeling, particularly the extreme separation of scales and the performance challenges associated with evolving, GPU-centric computing infrastructures. It achieves hardware-agnostic performance portability across various GPU and CPU architectures using the Kokkos library. Crucially, Entity maintains a high standard for usability, clarity, and customizability, offering a robust and easy-to-use framework for developing new algorithms and grid geometries, which allows extensive control without requiring edits to the core source code. This paper details the core general-coordinate special relativistic module. Entity is the first PIC code designed to solve the Vlasov–Maxwell system in general coordinates, enabling a coordinate-agnostic framework that provides the foundational structure for straightforward extension to arbitrary coordinate geometries. The core methodology achieves numerical stability by solving particle equations of motion in the global orthonormal Cartesian basis, despite using generalized coordinates like Cartesian, axisymmetric spherical, and quasi-spherical grids. Charge conservation is ensured via a specialized current deposition technique using conformal currents. The code exhibits robust scalability and performance portability on major GPU platforms (AMD MI250X, NVIDIA A100, and Intel Max Series), with the 3D particle pusher and the current deposition operating efficiently at about 2 ns per particle per time step. Functionality is validated through a comprehensive suite of standard Cartesian plasma tests and the accurate modeling of relativistic magnetospheres in curvilinear axisymmetric geometries.

Hakobyan, Hayk [Flatiron Institute, New York, NY (↗

Effects of gas–wall partitioning in Teflon tubing and instrumentation on time-resolved measurements of gas-phase organic compounds

Recent studies have demonstrated that organic compounds can partition from the gas phase to the walls in Teflon environmental chambers and that the process can be modeled as absorptive partitioning. Here these studies were extended to investigate gas–wall partitioning of organic compounds in Teflon tubing and inside a proton-transfer-reaction mass spectrometer (PTR-MS) used to monitor compound concentrations. Rapid partitioning of C 8 –C 14 2-ketones and C 11 –C 16 1-alkenes was observed for compounds with saturation concentrations ( c * ) in the range of 3 × 10 4 to 1 × 10 7 µg m -3 , causing delays in instrument response to step-function changes in the concentration of compounds being measured. These delays vary proportionally with tubing length and diameter and inversely with flow rate and c * . The gas–wall partitioning process that occurs in tubing is similar to what occurs in a gas chromatography column, and the measured delay times (analogous to retention times) were accurately described using a linear chromatography model where the walls were treated as an equivalent absorbing mass that is consistent with values determined for Teflon environmental chambers. The effect of PTR-MS surfaces on delay times was also quantified and incorporated into the model. The model predicts delays of an hour or more for semivolatile compounds measured under commonly employed conditions. These results and the model can enable better quantitative design of sampling systems, in particular when fast response is needed, such as for rapid transients, aircraft, or eddy covariance measurements. They may also allow estimation of c * values for unidentified organic compounds detected by mass spectrometry and could be employed to introduce differences in time series of compounds for use with factor analysis methods. Best practices are suggested for sampling organic compounds through Teflon tubing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pulse stretcher has improved dynamic range and linearity

Current-switching pulse stretcher overcomes the diode nonlinearity and capacitive feedthrough of voltage switching diode-capacitor stretchers and lengthens nanosecond pulses so that their amplitude may be determined and extends the dynamic range of the pulse stretcher. The rise time of the output pulse in response to a step function is approximately 5 nanoseconds.

Larsen, R. N.↗

Composite metal-oxide device has voltage sensitive capacitance

Device with step function variation of the capacitance is useful for voltage-controlled oscillator circuits and as a voltage-sensitive switch. Simplicity of construction makes the device suitable for large-scale integration, microelectronic circuits.

Mattauch, R. J.↗

Unsteady radiant heating of conical foil receptors.

The time dependent thermal equations of two types of conical radiation detectors are discussed and solved for a step function application of radiation parallel to the axis of the cases. The first type has a heat sink at the base and the second has the vertex buried in a heat sink to a variable proportion of its total height. It is found that the first case has the lower sensitivity and better time response. The time response of the second case is improved by more deeply burying the vertex, but to the detriment of sensitivity. At no value of this inclusion can both a superior sensitivity and time response be achieved for the second case.

Saunders, R. C., Jr.↗