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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Temperature dependent electrical transport studies of self-aligned ZnO nanorods/Si heterostructures deposited by sputtering

Self-aligned ZnO nanorods (NRs) were grown on n-Si(100) substrate by RF sputtering techniques. The NRs are uniformly grown on 2-inch wafer along [0001] direction. Single-crystalline wurtzite structure of ZnO NRs was confirmed by X-ray diffraction. The average diameter, height, and density of NRs are found 48 nm, 750 nm, and 1.26 × 10{sup 10} cm{sup −2}, respectively. The current-voltages (I-V) characteristics of ZnO NRs/Si heterojunction (HJ) were studied in the temperature range of 120–300 K and it shows a rectifying behavior. Barrier height (ϕ{sub B}) and ideality factor (η) were estimated from thermionic emission model and found to be highly temperature dependent in nature. Richardson constant (A{sup *}) was evaluated using Richardson plot of ln(I{sub o}/T{sup 2}) versus q/kT plot by linear fitting in two temperature range 120–180 K and 210–300 K. Large deviation in Richardson constant from its theoretical value of n-Si indicates the presence of barrier inhomogeneities at HJ. Double Gaussian distribution of barrier height with thermionic equation gives mean barrier heights of 0.55 ± 0.01 eV and 0.86 ± 0.02 eV for two different temperature regions 120–180 K and 210–300 K, respectively. Modified Richardson plot provided two values of Richardson constant for two temperature regions. However, for higher temperature range (210–300 K), the calculated value of Richardson constant ∼123 A cm{sup −2} K{sup −2} was close to the ideal Richardson constant for n-Si.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Time reversal violation for entangled neutral mesons

A direct evidence for Time Reversal Violation (TRV) means an experiment that, considered by itself, clearly shows TRV independent of, and unconnected to, the results for CP Violation. No existing result before the recent BABAR experiment with entangled neutral B mesons had demonstrated TRV in this sense. There is a unique solution for the test of TRV with unstable particles thanks to the Einstein-Podolsky-Rosen (EPR) Entanglement between the two neutral mesons in B, and φ, Factories. The two quantum effects of the decays as filtering measurements of the meson states and the transfer of information of the first decay to the still living partner allow performing a genuine TRV asymmetry with the exchange of “in” and “out” states. With four independent TRV asymmetries, BABAR observes a large deviation of T-invariance with a statistical significance of 14 standard deviations, far more than needed to declare the result as a discovery. This is the first direct observation of TRV in the time evolution of any system. The perspectives for future additional studies of TRV are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A theoretical study of the thermodynamic properties of YMgX{sub 4} (X=Co, Ni, Cu) compounds

The stability, electronic structures, elastic and thermal properties of the ternary YMgX{sub 4} (X=Co, Ni, Cu) compounds are investigated by first principle calculations in combination with the quasi-harmonic Debye model. The three compounds are predicted to be stable according to the formation enthalpies (ΔH), elastic constants (c{sub ij}) and phonon dispersion models. The elastic constants and polycrystalline elastic moduli reveal the relatively low anisotropy of these compounds. The electronic structures and bonding characters are analyzed by the electron densities of states and difference charge densities in the (110) plane. The comparisons between the phonon density of state and the quasi-harmonic Debye model imply the heat capacities (C{sub v}) and vibrational entropies (S) are close for YMgCo{sub 4} and YMgCu{sub 4}, whereas large deviation for YMgNi{sub 4}. A possible reason is that YMgNi{sub 4} has the slightly strong directional bondings, relative to YMgCo{sub 4} and YMgCu{sub 4}.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Analysis of the correlation dimension for inertial particles

We obtain an implicit equation for the correlation dimension which describes clustering of inertial particles in a complex flow onto a fractal measure. Our general equation involves a propagator of a nonlinear stochastic process in which the velocity gradient of the fluid appears as additive noise. When the long-time limit of the propagator is considered our equation reduces to an existing large-deviation formalism from which it is difficult to extract concrete results. In the short-time limit, however, our equation reduces to a solvability condition on a partial differential equation. In the case where the inertial particles are much denser than the fluid, we show how this approach leads to a perturbative expansion of the correlation dimension, for which the coefficients can be obtained exactly and in principle to any order. We derive the perturbation series for the correlation dimension of inertial particles suspended in three-dimensional spatially smooth random flows with white-noise time correlations, obtaining the first 33 non-zero coefficients exactly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

First passage times in homogeneous nucleation: Dependence on the total number of particles

Motivated by nucleation and molecular aggregation in physical, chemical, and biological settings, we present an extension to a thorough analysis of the stochastic self-assembly of a fixed number of identical particles in a finite volume. We study the statistics of times required for maximal clusters to be completed, starting from a pure-monomeric particle configuration. For finite volumes, we extend previous analytical approaches to the case of arbitrary size-dependent aggregation and fragmentation kinetic rates. For larger volumes, we develop a scaling framework to study the first assembly time behavior as a function of the total quantity of particles. We find that the mean time to first completion of a maximum-sized cluster may have a surprisingly weak dependence on the total number of particles. We highlight how higher statistics (variance, distribution) of the first passage time may nevertheless help to infer key parameters, such as the size of the maximum cluster. Finally, we present a framework to quantify formation of macroscopic sized clusters, which are (asymptotically) very unlikely and occur as a large deviation phenomenon from the mean-field limit. We argue that this framework is suitable to describe phase transition phenomena, as inherent infrequent stochastic processes, in contrast to classical nucleation theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Construction of the landscape for multi-stable systems: Potential landscape, quasi-potential, A-type integral and beyond

Motivated by the famous Waddington’s epigenetic landscape metaphor in developmental biology, biophysicists and applied mathematicians made different proposals to construct the landscape for multi-stable complex systems. We aim to summarize and elucidate the relationships among these theories from a mathematical point of view. We systematically investigate and compare three different but closely related realizations in the recent literature: the Wang’s potential landscape theory from steady state distribution of stochastic differential equations (SDEs), the Freidlin-Wentzell quasi-potential from the large deviation theory, and the construction through SDE decomposition and A-type integral. We revisit that the quasi-potential is the zero noise limit of the potential landscape, and the potential function in the third proposal coincides with the quasi-potential. We compare the difference between local and global quasi-potential through the viewpoint of exchange of limit order for time and noise amplitude. We argue that local quasi-potentials are responsible for getting transition rates between neighboring stable states, while the global quasi-potential mainly characterizes the residence time of the states as the system reaches stationarity. The difference between these two is prominent when the transitivity property is broken. The most probable transition path by minimizing the Onsager-Machlup or Freidlin-Wentzell action functional is also discussed. As a consequence of the established connections among different proposals, we arrive at the novel result which guarantees the existence of SDE decomposition while denies its uniqueness in general cases. It is, therefore, clarified that the A-type integral is more appropriate to be applied to the decomposed SDEs rather than its primitive form as believed by previous researchers. Our results contribute to a deeper understanding of landscape theories for biological systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Photoelectron yield spectroscopy and inverse photoemission spectroscopy evaluations of p-type amorphous silicon carbide films prepared using liquid materials

Phosphorus-doped amorphous silicon carbide films were prepared using a polymeric precursor solution. Unlike conventional polymeric precursors, this polymer requires neither catalysts nor oxidation for its synthesis and cross-linkage, providing semiconducting properties in the films. The valence and conduction states of resultant films were determined directly through the combination of inverse photoemission spectroscopy and photoelectron yield spectroscopy. The incorporated carbon widened energy gap and optical gap comparably in the films with lower carbon concentrations. In contrast, a large deviation between the energy gap and the optical gap was observed at higher carbon contents because of exponential widening of the band tail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Entropic and gradient flow formulations for nonlinear diffusion

Nonlinear diffusion ∂{sub t}ρ = Δ(Φ(ρ)) is considered for a class of nonlinearities Φ. It is shown that for suitable choices of Φ, an associated Lyapunov functional can be interpreted as thermodynamic entropy. This information is used to derive an associated metric, here called thermodynamic metric. The analysis is confined to nonlinear diffusion obtainable as hydrodynamic limit of a zero range process. The thermodynamic setting is linked to a large deviation principle for the underlying zero range process and the corresponding equation of fluctuating hydrodynamics. For the latter connections, the thermodynamic metric plays a central role.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Study of the effect of loop inductance on the RF transmission line to cavity coupling coefficient

Coupling of RF power is an important aspect in the design and development of RF accelerating structures. RF power coupling employing coupler loops has the advantage of tunability of β, the transmission line to cavity coupling coefficient. Analytical expressions available in literature for determination of size of the coupler loop using Faraday’s law of induction show reasonably good agreement with experimentally measured values of β below critical coupling (β ≤ 1) but show large deviation with experimentally measured values and predictions by simulations for higher values of β. In actual accelerator application, many RF cavities need to be over-coupled with β > 1 for reasons of beam loading compensation, reduction of cavity filling time, etc. This paper discusses a modified analytical formulation by including the effect of loop inductance in the determination of loop size for any desired coupling coefficient. The analytical formulation shows good agreement with 3D simulations and with experimentally measured values. It has been successfully qualified by the design and development of power coupler loops for two 476 MHz pre-buncher RF cavities, which have successfully been conditioned at rated power levels using these coupler loops.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Variational design principles for nonequilibrium colloidal assembly

Using large deviation theory and principles of stochastic optimal control, we show that rare molecular dynamics trajectories conditioned on assembling a specific target structure encode a set of interactions and external forces that lead to enhanced stability of that structure. Such a relationship can be formulated into a variational principle, for which we have developed an associated optimization algorithm and have used it to determine optimal forces for targeted self-assembly within nonequilibrium steady-states. We illustrate this perspective on inverse design in a model of colloidal cluster assembly within linear shear flow. We find that colloidal clusters can be assembled with high yield using specific short-range interactions of tunable complexity. Shear decreases the yields of rigid clusters, while small values of shear increase the yields of nonrigid clusters. The enhancement or suppression of the yield due to shear is rationalized with a generalized linear response theory. Furthermore, by studying 21 unique clusters made of six, seven, or eight particles, we uncover basic design principles for targeted assembly out of equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Critical phenomena of the layered ferrimagnet Mn 3 Si 2 Te 6 following proton irradiation

The critical phenomena and magnetic entropy of the quasi-2D ferrimagnetic crystal, Mn 3 Si 2 Te 6 (MST), is analyzed along the easy axis (H || ab) as a function of proton irradiance. The critical exponents β and γ do not fall into any particular universality class upon proton irradiation. However, for pristine and irradiated samples, the critical exponents lie closer to mean field-like interactions; therefore, long-range interactions are presumed to be sustained in MST. The effective spatial dimensionality reveals that MST remains at d =3 under proton irradiation, whereas spin dimensionality transitions from an initial n =1 to n =2 and n =3 for 1 × 10 15 and 5 × 10 15 H + /cm 2 , indicating XY and Heisenberg interactions, respectively. The spin correlation function reveals an increase in magnetic correlations at 5 × 10 15 H + /cm 2 . Maximum change in magnetic entropy at 3 T is the largest for 5 × 10 15 H + /cm 2 at 2.45 J/kg K, in comparison to 1.60 J/kg K for pristine MST. These results intriguingly align with previous findings on MST where magnetization increased by ~50% at 5 × 10 15 H + /cm 2 , in comparison to its pristine counterpart [Martinez et al., Appl. Phys. Lett. 116, 172404 (2020)]. Magnetic entropy derived from heat capacity analysis shows no large deviations across the proton irradiated samples suggesting that the antiferromagnetic (AFM) coupling between the Mn sites is stable even after proton irradiation. This implies that magnetization is enhanced through a strengthening of the super-exchange interaction between Mn atoms mediated through Te rather than a weakening of the AFM component.

2D materials↗
DOE OSTI2024

Infrared spectroscopy of the syn -methyl-substituted Criegee intermediate: A combined experimental and theoretical study

An IR–vacuum ultraviolet (VUV) ion-dip spectroscopy method is utilized to examine the IR spectrum of acetaldehyde oxide (CH3CHOO) in the overtone CH stretch (2νCH) spectral region. IR activation creates a depletion of the ground state population that reduces the VUV photoionization signal on the parent mass channel. IR activation of the more stable and populated syn-CH3CHOO conformer results in rapid unimolecular decay to OH + vinoxy products and makes the most significant contribution to the observed spectrum. The resultant IR–VUV ion-dip spectrum of CH3CHOO is similar to that obtained previously for syn-CH3CHOO using IR action spectroscopy with UV laser-induced fluorescence detection of OH products. The prominent IR features at 5984 and 6081 cm−1 are also observed using UV + VUV photoionization of OH products. Complementary theoretical calculations utilizing a general implementation of second-order vibrational perturbation theory provide new insights on the vibrational transitions that give rise to the experimental spectrum in the overtone CH stretch region. The introduction of physically motivated small shifts of the harmonic frequencies yields remarkably improved agreement between experiment and theory in the overtone CH stretch region. The prominent features are assigned as highly mixed states with contributions from two quanta of CH stretch and/or a combination of CH stretch with an overtone in mode 4. The generality of this approach is demonstrated by applying it to three different levels of electronic structure theory/basis sets, all of which provide spectra that are virtually indistinguishable despite showing large deviations prior to introducing the shifts to the harmonic frequencies.

Chemistry↗
DOE OSTI2025

Analysis of the HAE activity in the TJ-II stellarator using a Landau closure model

The aim of this study is to analyze the stability of helical Alfvén eigenmodes (HAEs) in TJ-II discharges and the stabilizing effect of the energetic particles generated by the neutral beam injector (NBI) on pressure gradient-driven modes (PGDMs). HAE and PGDM stability is studied using the linear version of the gyro-fluid code FAR3d and the continuous structure by the STELLGAP code. First, Alfvén eigenmode (AE) and PGDM activity observed in the experiments is reproduced by the simulations, identifying unstable m/n = 4/7 − 2/3 and 7/12 − 5/8 HAEs triggered around ρ = 0.66 showing a frequency of 209 and 204 kHz, respectively, as well as 5/3 PGDM. Next, a parametric study is performed with respect to the thermal ion density and iota profile in the middle-outer plasma region to verify the robustness of the simulation results with respect to the uncertainty of experimental profiles. The analysis confirms that experimental uncertainty does not cause large deviations in the simulation results, showing the destabilization of the same HAEs for all the configurations tested. The simulations also indicate the decay of the 5/3 PGDM growth rate as the energetic particle (EP) population in the plasma increases, consistent with the experiment. Stability analysis of the n = 3, 7, 11, n = 5, 9, 13, n = 6, 10, 14, and n = 8, 12 helical families is performed with respect to the NBI operational regime for different EP energies, β as well as deposition profiles. The most unstable configuration is the radially localized on-axis NBI operation (stiff EP density profile gradients nearby the magnetic axis). Using the simulation model that reproduces the observed Alfvén activity, we extend the study to analyze NBI performance within a theoretical framework. It shows that increasing NBI voltage (which raises EP energy) leads to a degradation in NBI performance for a given power (related to EP β and their density). To achieve better NBI operation, higher voltage must be balanced with lower injection power, ensuring stable AEs while keeping the same EP β.

Plasma confinement↗
DOE OSTI2025

Physics-tailored machine learning reveals unexpected physics in dusty plasmas

Dusty plasma is a mixture of ions, electrons, and macroscopic charged particles that is commonly found in space and planetary environments. The particles interact through Coulomb forces mediated by the surrounding plasma, and as a result, the effective forces between particles can be nonconservative and nonreciprocal. Machine learning (ML) models are a promising route to learn these complex forces, yet their structure should match the underlying physical constraints to provide useful insight. Here, we demonstrate and experimentally validate an ML approach that incorporates physical intuition to infer force laws in a laboratory dusty plasma. Trained on 3D particle trajectories, the model accounts for inherent symmetries, nonidentical particles, and learns the effective nonreciprocal forces between particles with exquisite accuracy (R 2 > 0.99). We validate the model by inferring particle masses in two independent yet consistent ways. The model’s accuracy enables precise measurements of particle charge and screening length, identifying large deviations from common theoretical assumptions. Our ability to identify unknown physics from experimental data demonstrates how ML-powered approaches can guide new routes of scientific discovery in many-body systems. Furthermore, we anticipate our ML approach to be a starting point for inferring laws from dynamics in a wide range of many-body systems, from colloids to living organisms.

Science & Technology - Other Topics↗
DOE OSTI2014

Regularity underlying complexity: a redshift-independent description of the continuous variation of galaxy-scale molecular gas properties in the mass-star formation rate plane

Star-forming galaxies (SFGs) display a continuous specific star formation rate (sSFR) distribution, which can be approximated by two log-normal functions: one encompassing the galaxy main sequence (MS), and the other a rarer, starbursting population. Starburst (SB) sSFRs can be regarded as the outcome of a physical process (plausibly merging) taking the mathematical form of a log-normal boosting kernel that enhances star formation activity. We explore the utility of splitting the star-forming population into MS and SB galaxies—an approach we term the '2-Star Formation Mode' framework—for understanding their molecular gas properties. Star formation efficiency (SFE) and gas fraction variations among SFGs take a simple redshift-independent form, once these quantities are normalized to the corresponding values for average MS galaxies. SFE enhancements during SB episodes scale supra-linearly with the SFR increase, as expected for mergers. Consequently, galaxies separate more clearly into loci for SBs and normal galaxies in the Schmidt-Kennicutt plane than in (s)SFR versus M {sub *} space. SBs with large deviations (>10 fold) from the MS, e.g., local ULIRGs, are not average SBs, but are much rarer events whose progenitors had larger gas fractions than typical MS galaxies. Statistically, gas fractions in SBs are reduced two- to threefold compared to their direct MS progenitors, as expected for short-lived SFR boosts where internal gas reservoirs are depleted more quickly than gas is re-accreted from the cosmic web. We predict variations of the conversion factor α{sub CO} in the SFR-M {sub *} plane and we show that the higher sSFR of distant galaxies is directly related to their larger gas fractions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

KINEMATICS IN PARTIALLY IONIZED MOLECULAR CLOUDS: IMPLICATIONS FOR THE TRANSITION TO COHERENCE

A previous paper by Bailey and Basu shows analysis of density and mass-to-flux ratio maps for simulations with either an ionization profile which takes into account photoionization (step-like profile) or a cosmic ray only ionization profile. We extend this study to analyze the effect of these ionization profiles on velocity structures, kinematics, and synthetic spectra. Clump regions are found to occur at the convergence of two flows with a low velocity region and velocity direction transition occurring at the junction. Models with evident substructure show that core formation occurs on the periphery of these velocity valleys. Analysis of synthetic spectra reveals the presence of large non-thermal components within low-density gas, especially for models with the step-like ionization profile. All cores show small, sub-thermal relative motions compared to background gas. Large deviations within this analysis are due to the line of sight intersecting low- and high-density regions across the velocity switch transition. Positive deviations correspond to a foreground core moving away from the observer while negative deviations correspond to a background core moving toward the observer. Comparison of velocities resulting from different ionization profiles suggest that high ionization fractions yield supersonic velocities, up to two times the sound speed, while regions with low ionization fractions tend to be subsonic or mildly supersonic. This suggests that the transition to coherence within cores could be a transition between high and low ionization fractions within the gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

QUASI-PERIODIC OSCILLATION OF A CORONAL BRIGHT POINT

Coronal bright points (BPs) are small-scale luminous features seen in the solar corona. Quasi-periodic brightenings are frequently observed in the BPs and are generally linked with underlying magnetic flux changes. We study the dynamics of a BP seen in the coronal hole using the Atmospheric Imaging Assembly images, the Helioseismic and Magnetic Imager magnetogram on board the Solar Dynamics Observatory, and spectroscopic data from the newly launched Interface Region Imaging Spectrograph (IRIS). The detailed analysis shows that the BP evolves throughout our observing period along with changes in underlying photospheric magnetic flux and shows periodic brightenings in different EUV and far-UV images. With the highest possible spectral and spatial resolution of IRIS, we attempted to identify the sources of these oscillations. IRIS sit-and-stare observation provided a unique opportunity to study the time evolution of one footpoint of the BP as the slit position crossed it. We noticed enhanced line profile asymmetry, enhanced line width, intensity enhancements, and large deviation from the average Doppler shift in the line profiles at specific instances, which indicate the presence of sudden flows along the line-of-sight direction. We propose that transition region explosive events originating from small-scale reconnections and the reconnection outflows are affecting the line profiles. The correlation between all these parameters is consistent with the repetitive reconnection scenario and could explain the quasi-periodic nature of the brightening.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

DYNAMICS OF ON-DISK PLUMES AS OBSERVED WITH THE INTERFACE REGION IMAGING SPECTROGRAPH, THE ATMOSPHERIC IMAGING ASSEMBLY, AND THE HELIOSEISMIC AND MAGNETIC IMAGER

We examine the role of small-scale transients in the formation and evolution of solar coronal plumes. We study the dynamics of plume footpoints seen in the vicinity of a coronal hole using the Atmospheric Imaging Assembly (AIA) images, the Helioseismic and Magnetic Imager magnetogram on board the Solar Dynamics Observatory and spectroscopic data from the Interface Region Imaging Spectrograph (IRIS). Quasi-periodic brightenings are observed in the base of the plumes and are associated with magnetic flux changes. With the high spectral and spatial resolution of IRIS, we identify the sources of these oscillations and try to understand what role the transients at the footpoints can play in sustaining the coronal plumes. IRIS “sit-and-stare” observations provide a unique opportunity to study the evolution of footpoints of the plumes. We notice enhanced line width and intensity, and large deviation from the average Doppler shift in the line profiles at specific instances, which indicate the presence of flows at the footpoints of plumes. We propose that outflows (jet-like features) as a result of small-scale reconnections affect the line profiles. These jet-like features may also be responsible for the generation of propagating disturbances (PDs) within the plumes, which are observed to be propagating to larger distances as recorded from multiple AIA channels. These PDs can be explained in terms of slow magnetoacoustic waves.

79 ASTRONOMY AND ASTROPHYSICS↗