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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

The properties of the nitrogen-vacancy center in milled chemical vapor deposition nanodiamonds

Fluorescent nanodiamonds (FNDs) containing negatively charged nitrogen-vacancy (NV − ) centers are vital for many emerging quantum sensing applications from magnetometry to intracellular sensing in biology. However, developing a scalable fabrication method for FNDs hosting color centers with consistent bulk-like photoluminescence (PL) and spin coherence properties remains a highly desired but unrealized goal. Here, we investigate optimized ball milling of single-crystal diamonds produced via chemical vapor deposition (CVD) and containing 2 ppm of substitutional nitrogen and 0.3 ppm of NV − to achieve this goal. The NV charge state, PL lifetime, and spin properties of bulk CVD diamond samples are directly compared to milled CVD FNDs and commercial high-pressure high-temperature (HPHT) FNDs. We find that on average, the relative contribution of the NV − charge state to the total NV PL is lower and the NV PL lifetime is longer in CVD FNDs compared to HPHT FNDs, both likely due to the lower N s 0 concentration in CVD FNDs. The CVD bulk and CVD FNDs on average show similar average T 1 spin relaxation times of 3.2 ± 0.7 ms and 4.7 ± 1.6 ms, respectively, compared to 0.17 ± 0.01 ms for commercial HPHT FNDs. Our results demonstrate that ball milling of CVD diamonds enables the large-scale fabrication of NV ensembles in FNDs with bulk-like T 1 spin relaxation properties.

chemical vapor deposition↗
DOE OSTI2024

Exciton–Phonon Coupling Induces a New Pathway for Ultrafast Intralayer-to-Interlayer Exciton Transition and Interlayer Charge Transfer in WS 2 –MoS 2 Heterostructure: A First-Principles Study

Despite the weak, van der Waals interlayer coupling, photoinduced charge transfer vertically across atomically thin interfaces can occur within surprisingly fast, sub-50 fs time scales. An early theoretical understanding of charge transfer is based on a noninteracting picture, neglecting excitonic effects that dominate optical properties of such materials. We employ an ab initio many-body perturbation theory approach, which explicitly accounts for the excitons and phonons in the heterostructure. Our large-scale first-principles calculations directly probe the role of exciton-phonon coupling in the charge dynamics of the WS 2 /MoS 2 heterobilayer. We find that the exciton-phonon interaction induced relaxation time of photoexcited excitons at the K valley of MoS 2 and WS 2 is 67 and 15 fs at 300 K, respectively, which sets a lower bound to the intralayer-to-interlayer exciton transfer time and is consistent with experiment reports. We further show that electron-hole correlations facilitate novel transfer pathways that are otherwise inaccessible to noninteracting electrons and holes.

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

An Interfacial Engineering Approach toward Operation of a Porous Solid Electrolyte CO 2 Electrolyzer

Waste CO 2 can be repurposed as a carbon feedstock for synthesizing valuable chemicals via CO 2 electrolysis. Porous solid electrolyte (PSE) CO 2 electrolysis has been demonstrated as an economically viable method to produce high purity products. This work applies an interfacial engineering approach to determine key factors to improve performance in PSE CO 2 electrolyzers. We standardize the assembly by binding the ionic resin into an ionomer wafer and utilize Computational Fluid Dynamics (CFD) to design gaskets for uniform fluid flow. Here, we employ the distribution of relaxation times (DRT) method to determine that anionic-conducting interfaces are the primary contributor to energy losses. To address this, we demonstrate that enhancing the contact between the cathode and the anion exchange membrane (AEM) and the AEM-ionic resin interface allows for low overpotential in deionized water operation.

09 BIOMASS FUELS↗
NASA NTRS1979

EUV continua of solar flares 1420-1960 A

Measurements of absolute continuum intensities in the wavelength range 1420-1960 A are presented for the SN subflare of 1973 August 9 and the 2B flare of 1973 September 7, observed from the NRL spectrograph aboard Skylab. Continuum measurements are also given for two active-region plages, which are used for background nonflaring levels. Major enhancement of the flare continuum intensity above the plage backgrounds occurs in the Si I 3P and 1D continua. The observed brightness-temperature minimum of the plages is approximately 310 K above the quiet-sun minimum, and occurs at longer wavelength. The earliest flare brightness-temperature minima are approximately 200 K above the plage minimum, and also at longer wavelength. The observed decay time of the flare brightness temperature, which is comparable to the Solrad 9 X-ray decay time, is much longer than the Ulmschneider radiative relaxation time for the 1973 September 7 flare and marginally longer for the 1973 August 9 flare, suggesting continuous excess heating of the plage temperature minimum region throughout the period of our flare observations.

Cook, J. W.↗
NASA NTRS1965

Theory of Intramolecular Relaxation Processes

A master equation is derived to describe internal relaxation processes in molecular systems with a relatively small number of degrees of freedom. It is an inhomogeneous equation, taking into account nondiagonal elements of the coarse‐grained density matrix which prove to be the most relevant ones for the problem under consideration. Various relaxational time scales, inherent in a molecular system, can thus be shown to exist. Relaxation mechanisms and equilibrium states on these time scales can be determined. The general character and different types of solutions of the master equation are investigated. The theory is applied to internal vibrational relaxation and intramolecular rearrangement (isomerization) reactions.

Hofacker, G. Ludwig↗
NASA NTRS1996

Nonlinear Dynamics and Nucleation Kinetics in Near-Critical Liquids

The objective of our study is to model the nonlinear behavior of a near-critical liquid following a rapid change of the temperature and/or other thermodynamic parameters (pressure, external electric or gravitational field). The thermodynamic critical point is manifested by large, strongly correlated fluctuations of the order parameter (particle density in liquid-gas systems, concentration in binary solutions) in the critical range of scales. The largest critical length scale is the correlation radius r(sub c). According to the scaling theory, r(sub c) increases as r(sub c) = r(sub 0)epsilon(exp -alpha) when the nondimensional distance epsilon = (T - T(sub c))/T(sub c) to the critical point decreases. The normal gravity alters the nature of correlated long-range fluctuations when one reaches epsilon approximately equal to 10(exp -5), and correspondingly the relaxation time, tau(r(sub c)), is approximately equal to 10(exp -3) seconds; this time is short when compared to the typical experimental time. Close to the critical point, a rapid, relatively small temperature change may perturb the thermodynamic equilibrium on many scales. The critical fluctuations have a hierarchical structure, and the relaxation involves many length and time scales. Above the critical point, in the one-phase region, we consider the relaxation of the liquid following a sudden temperature change that simultaneously violates the equilibrium on many scales. Below T(sub c), a non-equilibrium state may include a distribution of small scale phase droplets; we consider the relaxation of such a droplet following a temperature change that has made the phase of the matrix stable.

Patashinski, Alexander Z.↗
NASA NTRS1989

Crater relaxation on Ganymede - Implications for ice rheology

Controversy has existed over whether or not viscous relaxation is an important process on the icy satellites. Previous models involved large extrapolations of Newtonian flow laws for ice, whereas ice is known to exhibit non-Newtonian behavior. Recently, the flow law parameters for ice at the appropriate temperatures and stresses have been measured. Numerical modeling of the viscous relaxation of basins on Ganymede using these parameters has given implausibly short relaxation times. However, this model treated ice as a purely viscous substance, so that no elastic lithosphere could develop near the surface. Here, ice is treated as a Maxwell visco-elastic material and numerically model the relaxation of basins on Ganymede. It is found that realistic Young's moduli lead to little relaxation occurring in basins even 4.0 Ga after their formation. Further, it is shown that within braod limits the near surface temperature gradient has little effect on this result. Finally, examination of the distribution of Maxwell times in the vicinity of the crater shows that most viscous relaxation occurs early in the basin's history when stresses are high, and thus Maxwell time is short. As stresses are relieved, the Maxwell time becomes long, and relaxation essentially ceases.

Hillgren, Valerie J.↗
DOE OSTI2024

Bottlebrush Block Copolymers at the Interface of Immiscible Liquids: Adsorption and Lateral Packing

Amphiphilic bottlebrush block copolymers (BBCPs), having a hydrophilic bottlebrush polymer (BP) linked covalently to a hydrophobic BP, were found to segregate to liquid-liquid interfaces to minimize the free energy of the system. The key parameter influencing the outcome of the experiments is the ratio between the degree of polymerization of the backbone (NBB) and that of the side-chain brushes (NSC). Specifically, a spherical, star-like configuration results when NBB < NSC, while a cylindrical, bottlebrush-like shape is preferred when NBB > NSC. Dynamic interfacial tension (γ) and fluorescence recovery after photobleaching (FRAP) measurements show that the BBCP configuration influences the areal density and in-plane diffusion at the fluid interface. The characteristic relaxation times associated with BBCP adsorption (τA) and reorganization (τR) were determined by fitting time-dependent interfacial tension measurements to a sum of two exponential relaxation functions. Both τA and τR initially increased with NBB up to 92 repeat units, due to the larger hydrodynamic radius in solution and slower in-plane diffusivity, attributed to a shorter cross-sectional diameter of the side-chains near the block junction. This trend reversed at NBB = 190, with shorter τA and τR attributed to increased segregation strength and exposure of the bare water/toluene interface due to tilting and/or wiggling of the backbone chains, respectively. The adsorption energy barrier decreased with higher NBB, due to a reduced BBCP packing density at the fluid interface. In conclusion, this study provides fundamental insights into macromolecular assembly at fluid interfaces, as it pertains to unique bottlebrush block architectures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1969

Radiative decay in carbon dioxide.

Thermal disturbance radiative decay time in carbon dioxide at low pressures and for nonzero vibrational relaxation times

Hodges, R. R., Jr.↗
NASA NTRS1972

Magnetic properties of Apollo 14 breccias and their correlation with metamorphism.

The magnetic properties of Apollo 14 breccias can be explained in terms of the grain size distribution of the interstitial iron which is directly related to the metamorphic grade of the sample. In samples 14049 and 14313 iron grains less than 500 A in diameter are dominant as evidenced by a Richter-type magnetic aftereffect and hysteresis measurements. Both samples are of lowest metamorphic grade. The medium metamorphic-grade sample 14321 and the high-grade sample 14312 both show a logarithmic time-dependence of the magnetization indicative of a wide range of relaxation times and thus grain sizes, but sample 14321 contains a stable remanent magnetization whereas sample 14312 does not. This suggests that small multidomain particles (less than 1 micron) are most abundant in sample 14321 while sample 14312 is magnetically controlled by grains greater than 1 micron. The higher the metamorphic grade, the larger the grain size of the iron controlling the magnetic properties.

Gose, W. A.↗
NASA NTRS1979

Hyperfine resonance of gaseous atomic hydrogen at 4.2 K

The hyperfine frequency and wall shift of hydrogen atoms at 4.2 K stored in a bulb coated with solid H2 were measured. The phase shift per wall collision is -0.29(1) rad. The adsorption energy of H on H2 is 9(2) K, and the adsorption time at 4.2 K is approximately 30 nsec. Transverse and longitudinal relaxation times have been measured, and atomic densities greater than 10 to the 14th/cu cm have been observed.

Crampton, S. B.↗
NASA NTRS1985

Magnetic optical activity in intense laser fields. I - Self-rotation and Verdet constant

The paper is concerned with the Faraday rotation and circular dichroism of dilute gases in longitudinal magnetic fields subject to strong radiation fields. In particular, magnetic fields are considered which produce Zeeman shifts much smaller than inverse collision times but which may be greater or smaller then the multipole relaxation times. Doppler broadening is considered, and explicit expressions are given for dipole transitions in a two-level system with arbitrary angular momentum for strong and weak magnetic fields. The same system is then studied as a function of the external magnetic-field strength with a fixed laser frequency. It is shown that this experimental arrangement, referred to as forward scattering, has certain advantages that are not present in the more usual magnetic rotation spectroscopy.

Giraud-Cotton, S.↗
NASA NTRS1979

Viscoelastic properties of entangled polymers - Ternary blends of monodisperse homopolymers

In a previous publication from this laboratory, the Rouse-Bueche-Zimm molecular theory of viscoelasticity has been extended by using a transient network model to apply to binary blends of monodisperse polymers with chain entanglements. The dynamics of the entanglements were modeled both by the enhanced frictional coefficients and by the additional elastic couplings. It was recognized that entanglements not only may form between chains of the same lengths (intracomponent entanglements) but also between those of different lengths (intercomponent entanglements). At a given intercomponent entanglement, the longer chain was assumed to have the frictional coefficient of the shorter chain. Similarly, for blends consisting of several monodisperse components with different molecular weights, such modifications are also required to predict their linear viscoelastic behavior. The frequency of these interactions is assumed to be proportional to the weight ratio of the respective component chains in the blend. Equations of motion are formulated for each component and solved numerically for the relaxation time spectra. Linear viscoelastic properties such as the dynamic mechanical moduli, stress relaxation moduli, and zero-shear viscosity can then be computed for these systems by linear summation of those of the components.

Soong, D.↗
NASA NTRS1991

Analysis of vibrational-translational energy transfer using the direct simulation Monte Carlo method

A new model is proposed for energy transfer between the vibrational and translational modes for use in the direct simulation Monte Carlo method (DSMC). The model modifies the Landau-Teller theory for a harmonic oscillator and the rate transition is related to an experimental correlation for the vibrational relaxation time. Assessment of the model is made with respect to three different computations: relaxation in a heat bath, a one-dimensional shock wave, and hypersonic flow over a two-dimensional wedge. These studies verify that the model achieves detailed balance, and excellent agreement with experimental data is obtained in the shock wave calculation. The wedge flow computation reveals that the usual phenomenological method for simulating vibrational nonequilibrium in the DSMC technique predicts much higher vibrational temperatures in the wake region.

Boyd, Iain D.↗
NASA NTRS2002

The 1999 (Mw 7.1) Hector Mine, California, Earthquake: Near-Field Postseismic Deformation from ERS Interferometry

Interferometric synthetic aperture radar (InSAR) data over the area of the Hector Mine earthquake (Mw 7.1, 16 October 1999) reveal postseismic deformation of several centimeters over a spatial scale of 0.5 to 50 km. We analyzed seven SAR acquisitions to form interferograms over four time periods after the event. The main deformations seen in the line-of-sight (LOS) displacement maps are a region of subsidence (60 mm LOS increase) on the northern end of the fault, a region of uplift (45 mm LOS decrease) located to the northeast of the primary fault bend, and a linear trough running along the main rupture having a depth of up to 15 mm and a width of about 2 km. We correlate these features with a double left-bending, rightlateral, strike-slip fault that exhibits contraction on the restraining side and extension along the releasing side of the fault bends. The temporal variations in the near-fault postseismic deformation are consistent with a characteristic time scale of 135 + 42 or - 25 days, which is similar to the relaxation times following the 1992 Landers earthquake. High gradients in the LOS displacements occur on the fault trace, consistent with afterslip on the earthquake rupture. We derive an afterslip model by inverting the LOS data from both the ascending and descending orbits. Our model indicates that much of the afterslip occurs at depths of less than 3 to 4 km.

Jacobs, Allison↗
DOE OSTI2025

Role of Electron Correlation beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation

Single-molecule magnets (SMMs) are promising candidates for molecular-scale data storage and processing due to their strong magnetic anisotropy and long spin relaxation times. However, as temperature rises, interactions between electronic states and lattice vibrations accelerate spin relaxation, significantly limiting their practical applications. Recently, ab initio simulations have made it possible to advance our understanding of phonon-induced magnetic relaxation, but significant deviations from experiments have often been observed. The description of molecules’ electronic structure has been mostly based on complete active space self-consistent field (CASSCF) calculations, and the impact of electron correlation beyond the active space remains largely unexplored. In this study, we provide the first systematic investigation of spin-phonon relaxation in SMMs with post-CASSCF multiconfigurational methods, specifically CAS followed by second-order perturbation theory and multiconfiguration pair-density functional theory. Taking Co(II)- and Dy(III)-based SMMs as case studies, we analyze how electron correlation influences spin-phonon relaxation rates across a range of temperatures, comparing theoretical predictions with experimental observations. Our findings demonstrate that post-CASSCF treatments make it possible to achieve quantitative predictions for Co(II)-based SMMs. For Dy(III)-based systems, however, accurate predictions require consideration of additional effects, underscoring the urgent necessity of further advancing the study of the effects of electronic correlation in these complex systems.

Energy↗
DOE OSTI2026

Non-Markovian relaxation spectroscopy of fluxonium qubits

Recent studies have shown that parasitic two-level systems (TLS) in superconducting qubits, which are a leading source of decoherence, can have relaxation times longer than the qubits themselves. However, the standard techniques used to characterize qubit relaxation is only valid for measuring T 1 under the Born-Markov approximation and could mask environmental memory effects in practice. Here, we introduce two-timescale relaxometry, a technique to probe the qubit and environment relaxation simultaneously and efficiently. We apply it to high-coherence fluxonium qubits over a frequency range of 0.1-0.4 GHz, and reveal a discrete spectrum of TLS with millisecond lifetimes. Our analysis of the spectrum is consistent with a random distribution of TLS in the aluminum oxide tunnel barrier of the Josephson junction chain of the fluxonium, with a spectral and volumetric density and average electric dipole similar to previous TLS studies at much higher frequencies. Our study suggests that investigating and mitigating TLS in the junction chain is crucial to the development of various types of noise-protected qubits in circuit QED.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗