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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Uncovering the Size-dependent Thermal Solid Transformation of Akaganéite

Investigating the structural evolution and phase transformation of iron oxides is crucial for gaining a deeper understanding of geological changes on diverse planets and preparing oxide materials suitable for industrial applications. In this study, we employed in-situ heating techniques in conjunction with transmission electron microscopy (TEM) observations and ex-situ characterization to thoroughly analyze the thermal solid-phase transformation of akaganéite one-dimensional (1D) nanostructures with varying diameters. Our findings offer compelling evidence for a size-dependent morphology evolution in akaganéite 1D nanostructures, which can be attributed to the transformation from akaganéite to maghemite (?-Fe2O3) and subsequent crystal growth. Specifically, we observed that akaganéite nanorods with a diameter of around 50 nm transformed into hollow polycrystalline maghemite nanorods, which demonstrated remarkable stability without arresting crystal growth under continuous heating. In contrast, smaller akaganéite nanoneedles or nanowires with a diameter ranging from 20 to 8 nm displayed a propensity for forming single-crystal nanoneedles or nanowires through phase transformation and densification. By manipulating the size of the precursors, we have developed a straightforward method for the synthesis of single-crystal and polycrystalline maghemite nanowires through solid-phase transformation. These significant findings provide new insights into the size-dependent structural evolution and phase transformation of iron oxides at the nanoscale.

Wang, Xiang↗
DOE OSTI2026

Calculating the space-charge-limited current density for nonplanar geometries by simulating the charge-free electric field

Calculating the space-charge-limited-current density (SCLCD) for a complicated diode geometry often requires computationally expensive particle-in-cell (PIC) codes. Here, this paper addresses this issue by using the charge-free electric field $E_0$ calculated using COMSOL Multiphysics to determine local and global SCLCD. The SCLCD obtained by using the surface average of $|E_0|^2$ on the cathode recovers theoretical results for one-dimensional (1D) planar, cylindrical, and tip-to-tip geometries in appropriate limits. We next compared tip-to-tip calculations with the SCLCD obtained using the PIC code Empire. The SCLCD calculated using COMSOL agreed well with Empire for flatter 1D tip-to-tip geometries and diverged with increasing sharpness. Physically, Empire predicts lower SCLCD than COMSOL because the electrons spread due to concentrated space-charge at the tip, whereas theory assumes that the electrons follow the charge-free electric field lines. We further assess the behavior of the SCLCD for tips protruding from the centers of flat, circular plates of various areas. Larger plate areas with constant tip size recover the 1D planar SCLCD globally and 1D tip-to-tip SCLCD locally, while reducing the difference between Empire and COMSOL calculations since larger plates capture more of the emitted electrons, reducing SCLCD suppression due to beam spreading. These results show that charge-free electric field simulations can be used to determine the SCLCD without needing to simulate particle dynamics in PIC.

Wright, Jack K. [Purdue Univ., West Lafayette, IN ↗
DOE OSTI2024

Systematic Local Simulations of Fast Neutrino Flavor Conversions with Scattering Effects

We investigate the dynamics of fast neutrino flavor conversions (FFCs) in the one-dimensional (1D) and zero-dimensional (0D) models, in which spatial advection is considered and ignored, respectively. In this study, we employ snapshots obtained by our self-consistent, realistic Boltzmann-neutrino-radiation-hydrodynamics simulations. We show that the FFC growth rate is considerably larger in the 1D model than in the 0D model, as expected from the previous linear analysis results. We find that the momentum space dimension does not significantly influence the neutrino transition probability in 1D models. On the other hand, in the 0D model without collisions, the FFC depends on the momentum space, and the azimuthal angle dependence breaks the periodicity of the FFC. Our study demonstrates that collisional instability can lead to further flavor conversions on a long timescale in 1D models after the asymptotic state of FFC has been reached. Such an effect should be taken into consideration when the fast and collisional flavor instabilities coexist.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Superdiffusion resilience in Heisenberg chains with two-dimensional interactions on a quantum processor

Superdiffusive spin transport in the one-dimensional (1D) Heisenberg model is a key theoretical discovery in nonequilibrium quantum many-body physics. Although extensively studied in 1D systems, the breakdown and sustenance of superdiffusion in two-dimensional (2D) lattices with integrability-breaking terms, as found in real materials, remains an open question. To address this, we develop a toy model that extends the 1D Heisenberg model with a representative set of 2D interaction types and tunable strengths. Our model exhibits varying degrees of superdiffusion breakdown depending on the interaction type, spanning ballistic to diffusive regimes. We establish and justify a hierarchy of 2D interactions based on their resilience against superdiffusion breakdown: Heisenberg >𝑋⁢𝑋 > Ising. This precise control over the superdiffusive behavior also enables rigorous benchmarking of quantum hardware, and our simulations on IBM's Heron devices confirm the hardware's ability to accurately capture these many-body nonequilibrium phenomena. Overall, our results are relevant not only to simulating superdiffusion in real materials, such as the 1D Heisenberg compound KCuF3, which contains modest nonintegrable 2D terms, but also to extending superdiffusive behavior to larger 2D qubit lattices and other 2D materials.

Alagarsamy Manikandan, Keerthi Kumaran [ORNL]↗
DOE OSTI2024

Influence of extended interactions on spin dynamics in one-dimensional cuprates

Quasi-one-dimensional (1D) materials provide a unique platform for understanding the importance and influence of extended interactions on the physics of strongly correlated systems due to their relative structural simplicity and the existence of powerful theoretical tools well-adapted to one spatial dimension. Recently, this was highlighted by anomalous observations in the single-particle spectral function A(q, ω) of 1D cuprate chain compounds, measured by angle-resolved photoemission spectroscopy (ARPES), which were explained by the presence of a long-range attractive interaction. Such an extended interaction should leave its fingerprints on other observables, notably the dynamical spin structure factor S(q, ω), measured by neutron scattering or resonant inelastic x-ray scattering (RIXS). Starting from a simple Hubbard Hamiltonian in 1D and using time-dependent density matrix renormalization group (tDMRG) methods, we show that the presence of long-range attractive coupling, directly through an instantaneous Coulomb interaction V or retarded electron phonon (el-ph) coupling, can introduce significant spectral weight redistribution in S(q, ω) across a wide range of doping. Here, this underscores the significant impact that extended interactions can have on dynamical correlations among particles, and the importance of properly incorporating this influence in modeling. Our results demonstrate that S(q, ω) can provide a sensitive experimental constraint, which complements ARPES measurements, in identifying key interactions in 1D cuprates, beyond the standard Hubbard model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Impact of mid- Z gas fill on dynamics and performance of shock-driven implosions at the OMEGA laser

Shock-driven implosions with 100% deuterium (D 2 ) gas fill compared to implosions with 50:50 nitrogen-deuterium (N 2 ⁢D 2 ) gas fill have been performed at the OMEGA laser facility to test the impact of the added mid-Ζ fill gas on implosion performance. Ion temperature (Τ ion ) as inferred from the width of measured DD-neutron spectra is seen to be 34%±6% higher for the N 2⁢ D 2 implosions than for the D 2 -only case, while the DD-neutron yield from the D 2 -only implosion is 7.2±0.5 times higher than from the N 2⁢ D 2 gas fill. The T ion enhancement for N 2 ⁢D 2 is observed in spite of the higher Z, which might be expected to lead to higher radiative loss, and higher shock strength for the D 2 -only versus N 2 ⁢D 2 implosions due to lower mass, and is understood in terms of increased shock heating of N compared to D, heat transfer from N to D prior to burn, and limited amount of ion-electron-equilibration-mediated additional radiative loss due to the added higher-Z material. Further, this picture is supported by interspecies equilibration timescales for these implosions, constrained by experimental observables. The one-dimensional (1D) kinetic Vlasov-Fokker-Planck code ifp and the radiation hydrodynamic simulation codes hyades (1D) and xrage [1D, two-dimensional (2D)] are brought to bear to understand the observed yield ratio. Comparing measurements and simulations, the yield loss in the N 2 ⁢D 2 implosions relative to the pure D 2 -fill implosion is determined to result from the reduced amount of D 2 in the fill (fourfold effect on yield) combined with a lower fraction of the D 2 fuel being hot enough to burn in the N 2 ⁢D 2 case. The experimental yield and T ion ratio observations are relatively well matched by the kinetic simulations, which suggest interspecies diffusion is responsible for the lower fraction of hot D 2 in the N 2 ⁢D 2 relative to the D 2 -only case. The simulated absolute yields are higher than measured; a comparison of 1D versus 2D XRAGE simulations suggest that this can be explained by dimensional effects. The hydrodynamic simulations suggest that radiative losses primarily impact the implosion edges, with ion-electron equilibration times being too long in the implosion cores. The observations of increased T ion and limited additional yield loss (on top of the fourfold expected from the difference in D content) for the N 2 ⁢D 2 versus D 2 -only fill suggest it is feasible to develop the platform for studying CNO-cycle-relevant nuclear reactions in a plasma environment.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Supernova Explosions of the Lowest-mass Massive Star Progenitors

Abstract We here focus on the behavior of supernovae that technically explode in 1D (spherical symmetry). When simulated in 3D, however, the outcomes of representative progenitors of this class are quite different in almost all relevant quantities. In 3D, the explosion energies can be 2 to 10 times higher, and there are correspondingly large differences in the 56 Ni yields. These differences between the 3D and 1D simulations reflect in part the relative delay to explosion of the latter and in the former the presence of protoneutron star convection that boosts the driving neutrino luminosities by as much as ∼50% at later times. In addition, we find that the ejecta in 3D models are more neutron-rich, resulting in significant weak r -process and 48 Ca yields. Furthermore, we find that in 3D the core is an interesting, though subdominant, source of acoustic power. In summary, we find that though a model might be found theoretically to explode in 1D, one must perform supernova simulations in 3D to capture most of the associated observables. The differences between 1D and 3D models are just too large to ignore.

Astronomy & Astrophysics↗
NASA NTRS1974

CO2 photodissociation and vibrational excitation in the planetary atmospheres

The principal subjects of investigation were the determination of the CO2 photodissociation quantum yields at the wavelengths from 1200 A to 1500 A, and the efficiency of electronic-to-vibrational energy transfer in the systems 0(1D) + CO, N2, CO2 yields 0(3P) + CO N2, CO2 vibrational energies. Measurements on the photodissociation quantum yield of CO2 in the 1200-1500 A region show that it is wavelength dependent, and for the six atomic line sources used, the quantum yield varied from 0.2 to 0.8. The data appear to fit the interpretation of stable CO2 bound states mixed with repulsive or predissociating states, since the low quantum yields coincide with the maximum structure in the CO2 absorption spectrum. The first reliable measurements were made on the efficiency of electronic-to-vibrational energy transfer in the systems 0(1D)-CO and 0(1D)-N2, using a uv resonance fluorescence technique. The 0(1D)-CO2 interaction was investigated by infrared techniques.

Slanger, T. G.↗
NASA NTRS1976

Absolute rate constant determinations for the deactivation of O/1D/ by time resolved decay of O/1D/ yields O/3P/ emission

Absolute rate constants for the deactivation of O(1D) atoms by some atmospheric gases have been determined by observing the time-resolved emission of O(1D) at 630 nm. O(1D) atoms were produced by the dissociation of ozone via repetitive laser pulses at 266 nm. Absolute rate constants for the relaxation of O(1D) at 298 K are reported for N2, O2, CO2, O3, H2, D2, CH4, HCl, NH3, H2O, N2O, and Ne. The results obtained are compared with previous relative and absolute measurements reported in the literature.

Davidson, J. A.↗
NASA NTRS1980

Destruction of N/2D/ by O2 - A major source of 6300 A dayglow emission

The paper discusses the N(2D) + O2 yields NO + O(1D), for k1 reaction, and examines under different geophysical conditions, the effect of this source of 6300 A surface brightness on the dayglow redline. In calculating the 6300 A volume emission rate, a computer code is used which provides the thermal electron density, photoelectron flux, ion concentrations, electron and ion temperatures and odd nitrogen densities required to evaluate the O(1D) sources and sinks. It is found that under most conditions this source is the dominant mechanism responsible for the production of the 6300 A dayglow above 150 km. The volume emission rate of this source in summer is 2.5 times larger than the sum of all other sources at 180 km, and 1.5 times as large in winter. In addition, when the N(2D) source of O(1D) is taken into account, the rate coefficient for quenching of O(1D) by N2 is estimated to be 4 plus or minus 1 x 10 to the -11th cu cm per sec.

Torr, D. G.↗
NASA NTRS1982

The role of metastable species in the thermosphere

Metastable excited states of various ions and neutrals in the thermosphere provide reservoirs for the temporary storage of a large portion of solar EUV energy, and permit the conversion of this photon energy by kinetic or vibrational heating, ion formation metastable species formation and nonlocal energy deposition. The present paper reviews current understandings of the chemistry of O(1D), O(1S), O(+)(2D), O(+)(2P), N(2D), N(2P), N(+)(1S), N(+)(1D), NO(+)(a), O2(+)(a), N2(A) and the vibrationally excited states of O2, N2, O2(+) and N2(+). The role of these species in the overall thermospheric energy budget and ionization balance is also quantified. It is noted that of the species considered, O(1D), O(1S), O(+)(1S), O(+)(2D), N(2D), N2(A) and the vibrationally excited states of the oxygen and nitrogen molecules are most significant, with a major fraction of the kinetic heating of the thermosphere taking place through O(1D).

Torr, M. R.↗
NASA NTRS2014

CFD Analysis of Thermal Control System Using NX Thermal and Flow

The Thermal Control Subsystem (TCS) is a key part of the Advanced Plant Habitat (APH) for the International Space Station (ISS). The purpose of this subsystem is to provide thermal control, mainly cooling, to the other APH subsystems. One of these subsystems, the Environmental Control Subsystem (ECS), controls the temperature and humidity of the growth chamber (GC) air to optimize the growth of plants in the habitat. The TCS provides thermal control to the ECS with three cold plates, which use Thermoelectric Coolers (TECs) to heat or cool water as needed to control the air temperature in the ECS system. In order to optimize the TCS design, pressure drop and heat transfer analyses were needed. The analysis for this system was performed in Siemens NX Thermal/Flow software (Version 8.5). NX Thermal/Flow has the ability to perform 1D or 3D flow solutions. The 1D flow solver can be used to represent simple geometries, such as pipes and tubes. The 1D flow method also has the ability to simulate either fluid only or fluid and wall regions. The 3D flow solver is similar to other Computational Fluid Dynamic (CFD) software. TCS performance was analyzed using both the 1D and 3D solvers. Each method produced different results, which will be evaluated and discussed.

CFD↗
NASA NTRS2018

Uncertainty Analysis of Coaxial Thermocouple Calorimeters Used in Arc Jets

Recent introduction of Coaxial Thermocouple type calorimeters into the NASA Ames arc jet facilities has inspired an analysis of 2D conduction effects internal to this type of calorimeter. Lateral conduction effects violate the 1D finite slab inverse analysis which is typically used to deduce the heat transfer to such calorimeters. The spherical shaped nose associated with most calorimeters (rather than flat) leads to a bias error that over-estimates the stagnation heating. Non-uniform heating on the face of spherically shaped calorimeters leads to conduction losses to the colder rim of the calorimeter which causes an underestimate of the stagnation heating. These two effects come into play at different times of the calorimeter's exposure to the arc jet, so they do not cancel. The spherical body effects come into play in the early stages of exposure, while the non-uniform heating effect becomes most severe at the later stages of exposure. The bias associated with spherical effects can be avoided by rewriting the 1D finite slab inverse analysis code to solve for 1D conduction in spherical coordinates. However, reducing the bias error associated non-uniform heating requires a somewhat ad hoc modification to the 1D finite element inverse analysis.

Isotherms↗
NASA NTRSDate not supplied

Pterodactyl: Effects of 3D Thermal Analysis on Thermal Protection System Design for a Flap Control System

NASA’s Pterodactyl project has investigated the use of a novel multi-flap control system to facilitate precision targeting of Deployable Entry Vehicles (DEVs) during atmospheric re-entry [1]. DEVs can be folded to fit within the limiting cross-sectional area of current launch systems. Once deployed, the vehicle expands and settles into a pre-determined blunt body shape. While DEVs provide a more efficient solution to increased payload sizes, the absence of a back shell does not allow for easy integration of reaction control systems, which have historically been used for guidance and control (G&C) of rigid aeroshells during entry. One DEV solution, called the Adaptable, Deployable Entry Placement Technology (ADEPT), employs mechanically deployed gores. This provided the Pterodactyl project with the opportunity to incorporate a rib-mounted, 8-flap control system for G&C. Each flap can deflect independently in and out of the hypersonic flow, requiring TPS for the flaps. Previous work within the Pterodactyl project utilized 1D thermal analysis to design the TPS. However, the Pterodactyl project was concerned that the base level tools for 1D thermal analysis were not accounting for the 3D effects of the large heating gradients along and across the flaps, the in-depth in-plane conductivity of the TPS and internal structure, and the effects of the small edge radii at the neck of the flaps. This paper discusses the methodology and results of a 3D thermal analysis of the flap control system. Additionally, the results from the 1D and 3D thermal analyses are compared. It is found that elements of the original design that resulted from the 1D analysis may be overly conservative, and implementation of a 3D thermal analysis indicated a reduction in TPS thickness is feasible. This result helps to reduce the mechanical integration complexity of the flap at the rib tip and realizes potential mass savings.

Sarah N D'Souza↗
DOE OSTI2025

One-dimensional heterocyclic carbene–Au metal–organic frameworks bridging ultra-high vacuum models and scalable liquid-phase growth

The controlled design of molecule–metal interfaces is central to the development of functional nanomaterials for catalysis, sensing, and molecular electronics. Here we show that the adsorption of a Janus-type diimidazolium precursor on gold yields one-dimensional (1D) N-heterocyclic carbene (NHC)–Au–NHC metal organic frameworks (MOFs) featuring positively charged gold nodes. Using synchrotron X-ray photoemission spectroscopy (XPS), near edge X-ray adsorption fine structure (NEXAFS) spectroscopy and scanning tunnelling microscopy (STM), we demonstrate that thermal activation promotes counterion removal and drives the formation of extended 1D arrays, characterized by ∼1.0 nm Au–Au spacing and adatom densities up to 0.6 atom nm −2 (∼4% of surface atoms). Importantly, we translate this ultra-high vacuum (UHV) benchmark into a scalable solution-phase protocol in ethanol, enabling 1D-MOF growth under mild, base-free, open-air conditions. The resulting films retain structural and electronic signatures of UHV-grown systems, bridging model studies and practical synthesis. This approach establishes NHC–metal frameworks as accessible, tunable platforms for catalysis and materials design.

Gold adatoms↗
DOE OSTI2025

Intercalation-Engineered Out-of-Plane Polarized van der Waals Ferromagnetic Superlattice with Room-Temperature Néel-Type Skyrmions

Superlattices (SLs) based on two-dimensional (2D) van der Waals (vdW) materials, abbreviated as 2D-SLs, have garnered significant attention due to their customizable properties. 2D-SLs can be engineered by mechanical stacking or chemical intercalation to achieve diverse forms of symmetry breaking, resulting in exotic phenomena like the quantum anomalous Hall effect and topological magnetism. Hitherto, broken symmetries in 2D-SLs have been widely produced within lateral planes or three dimensions. However, symmetry breaking along the vertical direction, specifically as an out-of-plane one-dimensional (1D) polarized superlattice, has not yet been achieved. Here, in this paper, we report a so far unseen out-of-plane 1D polarized vdW ferromagnetic superlattice achieved through an approach of two-step intercalation and de-embedding of chromium (Cr)-based 2D vdW magnets. The off-centering polarization of both intrinsic and intercalated Cr atoms in this (1 × 1 × 2) superstructure breaks the mirror symmetry vertically, yielding a Dzyaloshinskii–Moriya interaction (DMI). This results in high-density Néel-type magnetic skyrmions over a broad temperature range. Notably, sub-100 nm Néel-type skyrmions at room temperature (RT) can be achieved by tuning the Cr intercalation ratio, marking the first binary compound RT Néel-type skyrmionic vdW magnet. Our work expands the 2D-SL family with a class of out-of-plane 1D polarized ferromagnetic superlattice with tunable topological magnetism.

1D polarized superlattice↗
DOE OSTI2026

Sampling two-dimensional isometric tensor network states

Sampling a quantum system’s underlying probability distributions is an important computational task, e.g., for quantum advantage experiments and quantum Monte Carlo algorithms. Tensor networks are an invaluable tool for efficiently representing states of large quantum systems with limited entanglement. Algorithms for sampling one-dimensional (1D) tensor networks are well-established and utilized in several 1D tensor network methods. In this paper we introduce two novel sampling algorithms for two-dimensional (2D) isometric tensor network states (isoTNS) that generalize existing 1D tensor network sampling algorithms. Our first proposed algorithm performs independent sampling and yields a single configuration together with its associated probability. The second algorithm employs a greedy search strategy to identify high-probability configurations and their corresponding probabilities. Numerical results demonstrate the effectiveness of these algorithms across quantum states with varying entanglement and system size.

Dumitrescu, Eugene [ORNL] (ORCID:0000000158519567)↗
DOE OSTI2024

Heat release surrogates for NH 3 /H 2 /N 2 –air premixed flames

The present study investigates the performance of NH, NH 2 , O-atom, and H-atom as heat release rate (HRR) surrogates for NH 3 /H 2 /N 2 –air premixed flame through simulations. The simulations are conducted across different pressures, reactant inlet temperatures, fuel blend compositions, and equivalence ratios. Cantera is used to simulate one-dimensional (1D) freely propagating flames to investigate the spatial correlations of the species with the HRR. PeleLMeX, a low-Mach direct numerical simulation (DNS) code with Adaptive Mesh Refinement (AMR), is used to simulate two-dimensional (2D) flame-vortex interactions to investigate the temporal correlations including stretch effects. Three different mechanisms (Jiang et al. 2020; Glarborg et al. 2018; Okafor et al. 2018) were considered in the 1D flame simulations, whereas only the Jiang mechanism was considered in the flame-vortex simulations. The HRR surrogate performance for the 2D flames is evaluated at two different locations: (1) the centerline and (2) the flame cusp. The cusp is defined as the region in the flame front with the greatest curvature and the centerline encounters the highest tangential strain rate. The 1D flame results suggest that, although there is not uniformly good spatial correlation for HRR across all flame conditions, NH is the best overall as a HRR surrogate for laminar flames. The 2D flame results, however, suggest that O-atom and H-atom have satisfactory temporal correlations at different conditions—the former for rich flames, the latter for high-pressure flames. Furthermore, these simulations provide guidance to experimental measurements of surrogate HRR markers in unsteady multi-dimensional flames using laser diagnostics to detect species such as NH, O-atom, and H-atom.

Ammonia↗