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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Climate controls over the net carbon uptake period and amplitude of net ecosystem production in temperate and boreal ecosystems

The seasonal and interannual variability of the terrestrial carbon cycle is regulated by the interactions of climate and ecosystem function. However, the key factors and processes determining the interannual variability of net ecosystem productivity (NEP) in different biomes are far from clear. Here in this paper, we quantified yearly anomalies of seasonal and annual NEP, net carbon uptake period (CUP), and the maximum daily NEP (NEPmax) in response to climatic variables in 24 deciduous broadleaf forest (DBF), evergreen forest (EF), and grassland (GRA) ecosystems that include at least eight years of eddy covariance observations. Over the 228 site-years studied, interannual variations in NEP were mostly explained by anomalies of CUP and NEPmax. CUP was determined by spring and autumn net carbon uptake phenology, which were sensitive to annual meteorological variability. Warmer spring temperatures led to an earlier start of net carbon uptake activity and higher spring and annual NEP values in DBF and EF, while warmer autumn temperatures in DBF, higher autumn radiation in EF, and more summer and autumn precipitation in GRA resulted in a later ending date of net carbon uptake and associated higher autumn and annual NEP. Anomalies in NEPmax s were determined by summer precipitation in DBF and GRA, and explained more than 50% of variation in summer NEP anomalies for all the three biomes. Results demonstrate the role of meteorological variability in controlling CUP and NEPmax, which in turn help describe the seasonal and interannual variability of NEP.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2010

PEPS as ground states: Degeneracy and topology

We introduce a framework for characterizing Matrix Product States (MPS) and Projected Entangled Pair States (PEPS) in terms of symmetries. This allows us to understand how PEPS appear as ground states of local Hamiltonians with finitely degenerate ground states and to characterize the ground state subspace. Subsequently, we apply our framework to show how the topological properties of these ground states can be explained solely from the symmetry: We prove that ground states are locally indistinguishable and can be transformed into each other by acting on a restricted region, we explain the origin of the topological entropy, and we discuss how to renormalize these states based on their symmetries. Finally, we show how the anyonic character of excitations can be understood as a consequence of the underlying symmetries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Non-strictly black body spectrum from the tunnelling mechanism

The tunnelling mechanism is widely used to explain Hawking radiation. However, in many cases the analysis used to obtain the Hawking temperature only involves comparing the emission probability for an outgoing particle with the Boltzmann factor. Banerjee and Majhi improved this approach by explicitly finding a black body spectrum associated with black holes. Their result, obtained using a reformulation of the tunnelling mechanism, is in contrast to that of Parikh and Wilczek, who found an emission probability that is compatible with a non-strictly thermal spectrum. Using the recently identified effective state for a black hole, we solve this contradiction via a slight modification of the analysis by Banerjee and Majhi. The final result is a non-strictly black body spectrum from the tunnelling mechanism. We also show that for an effective temperature, we can express the corresponding effective metric using Hawking’s periodicity arguments. Potential important implications for the black hole information puzzle are discussed. -- Highlights: •We review an important result by Banerjee and Majhi on the tunnelling mechanism in the framework of Hawking radiation. •This result is in contrast to another result reported by Parikh and Wilczek. •We introduce the effective state of a black hole. •We explain the contrast via a slight modification of the analysis by Banerjee and Majhi. •We discuss potential important implications for the black hole information puzzle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

‘Superluminal paradox’ in wave packet propagation and its quantum mechanical resolution

We analyse in detail the reshaping mechanism leading to apparently ‘superluminal’ advancement of a wave packet traversing a classically forbidden region. In the coordinate representation, a barrier is shown to act as an effective beamsplitter, recombining envelopes of the freely propagating pulse with various spacial shifts. Causality ensures that none of the constituent envelopes are advanced with respect to free propagation, yet the resulting pulse is advanced due to a peculiar interference effect, similar to the one responsible for ‘anomalous’ values which occur in Aharonov’s ‘weak measurements’. In the momentum space, the effect is understood as a bandwidth phenomenon, where the incident pulse probes local, rather than global, analytical properties of the transmission amplitude T(p). The advancement is achieved when T(p) mimics locally an exponential behaviour, similar to the one occurring in Berry’s ‘superoscillations’. Seen in a broader quantum mechanical context, the ‘paradox’ is but a consequence of an attempt to obtain ‘which way?’ information without destroying the interference between the pathways of interest. This explains, to a large extent, the failure to adequately describe tunnelling in terms of a single ‘tunnelling time’. -- Highlights: •Apparent superluminality is described in the language of quantum measurements. •A barrier acts as a beamsplitter delaying copies of the initial pulse. •In the coordinate space the effect is similar to what occurs in ‘weak measurements’. •In the momentum space it relies on superoscillations in the transmission amplitude. •It is an interference effect, unlikely to be explained in simpler physical terms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A geometric theory for Lévy distributions

Lévy distributions are of prime importance in the physical sciences, and their universal emergence is commonly explained by the Generalized Central Limit Theorem (CLT). However, the Generalized CLT is a geometry-less probabilistic result, whereas physical processes usually take place in an embedding space whose spatial geometry is often of substantial significance. In this paper we introduce a model of random effects in random environments which, on the one hand, retains the underlying probabilistic structure of the Generalized CLT and, on the other hand, adds a general and versatile underlying geometric structure. Based on this model we obtain geometry-based counterparts of the Generalized CLT, thus establishing a geometric theory for Lévy distributions. The theory explains the universal emergence of Lévy distributions in physical settings which are well beyond the realm of the Generalized CLT.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Geometrical aspects on the dark matter problem

In the present paper we apply Nash’s theory of perturbative geometry to the study of dark matter gravity in a higher-dimensional space–time. It is shown that the dark matter gravitational perturbations at local scale can be explained by the extrinsic curvature of the standard cosmology. In order to test our model, we use a spherically symmetric metric embedded in a five-dimensional bulk. As a result, considering a sample of 10 low surface brightness and 6 high surface brightness galaxies, we find a very good agreement with the observed rotation curves of smooth hybrid alpha-HI measurements. - Highlights: • The metric perturbation and the embedding lead naturally to a “brane-world”-like higher dimensional structure. • Nash’s theorem as a cornerstone of the formation of geometrical structures. • The dark matter gravitational perturbations at local scale can be explained by the extrinsic curvature. • A good agreement was found with the observed rotation curves of smooth hybrid alpha-HI measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

The extended Bloch representation of quantum mechanics and the hidden-measurement solution to the measurement problem

A generalized Bloch sphere, in which the states of a quantum entity of arbitrary dimension are geometrically represented, is investigated and further extended, to also incorporate the measurements. This extended representation constitutes a general solution to the measurement problem, inasmuch it allows to derive the Born rule as an average over hidden-variables, describing not the state of the quantum entity, but its interaction with the measuring system. According to this modelization, a quantum measurement is to be understood, in general, as a tripartite process, formed by an initial deterministic decoherence-like process, a subsequent indeterministic collapse-like process, and a final deterministic purification-like process. We also show that quantum probabilities can be generally interpreted as the probabilities of a first-order non-classical theory, describing situations of maximal lack of knowledge regarding the process of actualization of potential interactions, during a measurement. - Highlights: • An extended Bloch representation of quantum measurements is given. • Quantum measurements are explained in terms of hidden-measurement interactions. • Quantum measurements are explained as tripartite processes. • The Born rule results from a universal average, over all possible measurement processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Two diverse models of embedding class one

Highlights: •The embedding of curved spacetime in higher-dimensional flat spacetime is discussed. •The focus is on two diverse models of embedding class one. •The first model is a complete wormhole solution including the junction conditions. •The second is a new model to explain the flat galactic rotation curves without the need for dark matter. -- Abstract: Embedding theorems have continued to be a topic of interest in the general theory of relativity since these help connect the classical theory to higher-dimensional manifolds. This paper deals with spacetimes of embedding class one, i.e., spacetimes that can be embedded in a five-dimensional flat spacetime. These ideas are applied to two diverse models, a complete solution for a charged wormhole admitting a one-parameter group of conformal motions and a new model to explain the flat rotation curves in spiral galaxies without the need for dark matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

More on the new large D limit of matrix models

In this paper, we extend the recent analysis of the new large D limit of matrix models to the cases where the action contains arbitrary multi-trace interaction terms as well as to arbitrary correlation functions. We discuss both the cases of complex and Hermitian matrices, with U(N){sup 2}×O(D) and U(N)×O(D) symmetries respectively. In the latter case, the new large D limit is consistent for planar diagrams; at higher genera, it crucially requires the tracelessness condition. For similar reasons, the large N limit of tensor models with reduced symmetries is typically inconsistent already at leading order without the tracelessness condition. We also further discuss some interesting properties of purely bosonic models pointed out recently and explain that the standard argument predicting a non-trivial IR behavior in fermionic models à la SYK does not work for bosonic models. Finally, we explain that the new large D scaling is consistent with linearly realized supersymmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Advances in the calculation of optical properties in superlattices; novel insights derived from the theory of finite periodic systems

Highlights: • Truly quantum calculation of optical properties in superlattices. • An approach that goes beyond the abilities of the current approaches in the literature. • Accurate calculations based on bona fide superlattice eigenvalues and eigenfunctions. • Accurate calculation of optical-transition matrix elements and new selection rules. • Optical spectra of AlGaAs and InGaN superlattices agree with experimental results. • Optical spectra features of blue diodes faithfully reproduced and fully explained. • Unexplained lines in high-resolution spectra assigned to surface and edge states. - Abstract: Using the genuine superlattice eigenvalues and eigenfunctions, and their parity symmetries, new transition selection rules are derived, and a novel approach for the explicit calculation of the optical spectra of periodic structures presented. The optical response and infrared spectra published in the last 40 years for (In, Ga)N and (Al, Ga)As superlattices, with different number of unit cells n (varying from ∼10 to ∼400) and barrier and valley widths in the range of 2.5 nm to 40 nm, and different properties have been revisited. Among the various examples discussed here, we study the narrow peaks clustered in groups reported in high resolution spectra of blue-emitting devices, that could not be explained until now. These properties are faithfully reproduced and fully understood. We show that these effects are related to and depend on the surface energy levels and their tuneable detachment. We shown also that the optical transitions experimentally observed, but forbidden by the current optical physics, are really allowed transitions. Since the number of energy eigenvalues E{sub μ,ν}{sup r,v} and eigenfunctions Ψ{sub μ{sup ′},ν{sup ′r,v}}(z) is now much greater, the number of allowed matrix-elements can be extremely large (of the order of n{sup 2} n{sub c}n{sub v}∕2, with n{sub c} and n{sub v} the number of subbands in the conduction and valence bands). We show that this number can be reduced by using the eigenfunctions’ symmetries, which are behind the parity symmetry selection rules and the leading order selection rules. These rules reduce the number of matrix-elements evaluations from ∼n{sup 2}n{sub c}n{sub v}∕2 to ∼nn{sub c}n{sub v}∕2, i.e., depending on the superlattice, from about 1000 to 100. We discuss also a third rule, that collects the contributions of the surface and edge states, reducing the number of transitions even more to N{sub s}≤n{sub c}n{sub v}. With these rules, the main peaks are conserved and their number practically matches that of the real spectrum. Excellent agreements are found with experimental results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Adiabatic quantum decoherence in many non-interacting subsystems induced by the coupling with a common boson bath

Highlights: • System–environment quantum correlation: a main solid state NMR decoherence channel. • Non-separable system–environment model yields realistic spin decoherence rates. • New open quantum system approach explains irreversible decay of refocused NMR echoes. • Adiabatic quantum decoherence is inherently irreversible and eigen-selective. This work addresses adiabatic quantum decoherence of many-body spin systems coupled with a boson field in the framework of open quantum systems theory. We generalize the traditional spin-boson model by considering a system–environment interaction Hamiltonian that represents a partition of non-interacting subsystems and highlights the collective correlation that appears exclusively due to the coupling with a common environment. Remarkably, this simple, exactly solvable model encompasses relevant aspects of a many-body open quantum system and features the subtle quantum effects that arise when the size scales up to a macroscopic level. We derive an analytical expression for the time dependence of the density matrix elements (in the preferred basis) without assuming coarse-graining. The resulting decoherence function is eigen-selective and is a complex exponential whose exponent has a real part that introduces a decay similar to that in the spin-boson model. On the contrary, the imaginary part depends on the quantum numbers and geometry of the whole partition and does not reflect the system temperature. Motivated by decoherence in solid-state NMR, and in search of realistic numerical estimations, we apply the theoretical results to a partition of dipole-coupled spin pairs in contact with a common phonon bath, using typical parameters of hydrated salts. The proposal allows estimating the decoherence time scale in terms of the system physical constants: sound velocity and eigenvalue distribution width. As a significant novelty, the decoherence function phase depends on the eigenvalue distribution throughout the sample. It plays the leading role, overshadowing the mechanism associated with the bath thermal state. Finally, we apply the formalism to describe decoherence in the “magic echo” NMR reversal experiment. We find that the system–environment correlation explains the origin of irreversibility, and both the decoherence rate value and its dependence on the dipolar frequency, are remarkably similar to the experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

A re-examination of the catalyst activation and temperature hysteresis in methane combustion on Pt/Al 2 O 3

Methane combustion is an industrially important reaction that has been extensively studied. Supported Pt catalysts on Al 2 O 3 exhibit excellent activity in this reaction owing to their Csingle bondH bond activation capability. Pt/Al 2 O 3 catalyst remains almost inactive until the conversion increases abruptly at the ignition temperature (T ign ). The temperature hysteresis behavior has been reported, where after ignition, as the temperature is lowered below T ign , the catalyst continues to exhibit high activity. The activation has been previously attributed to the removal of adsorbed oxygen on Pt sites at T ign , while the hysteresis has been explained by the local temperature elevation caused by the reaction heat. Here in this work, this behavior was re-examined at a small scale in a fixed-bed flow reactor over a range of pre-treatment and reaction mixture conditions. Low-temperature activation was achieved by pre-treating the catalyst with CH 4 . Carefully designed control experiments yielded observations that cannot be rationalized by the existing theory, suggesting that it is incomplete. Based on these new results, we propose a more comprehensive theory describing the active sites in the oxidation reaction as methane-derived adsorbed carbon active sites, and their formation as the controlling factor in the catalyst activation. The hysteresis can be better explained by the enhanced stability of active sites under reaction conditions. In situ infrared spectroscopy and mass spectrometry studies were conducted in a flow cell, providing strong evidence supporting the theory. The dissociative adsorption of CH 4 was studied under a variety of pre-treatment conditions, and proved to be responsible for the active site formation. The fundamental understanding obtained in this work contributes significant insights to the understanding of reaction mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Kinetics of hydrogenation and hydrogenolysis of 2,5-dimethylfuran over noble metals catalysts under mild conditions

Ketones, derived via the selective ring-opening hydrogenation of biomass-derived furanic compounds, are useful synthons for the production of fuels and lubricant. In this study, 2,5-dimethylfuran (DMF) was used as a model to investigate the liquid-phase hydrogenation of substituted furans over noble metals. The activity and selectivity of carbon-supported Pt, Pd, Rh, and Ru were compared under identical conditions. Pt/C exhibited the highest activity and selectivity for C—O bond hydrogenolysis, whereas all other catalysts exhibited a high selectivity for ring hydrogenation to form 2,5-dimethyltetrahydrofuran. The reaction kinetics were measured in detail for liquid-phase hydrogenation of DMF over Pt/C, under conditions that excluded the effects of internal or external mass transfer (333 K–363 K, p H2 = 0.41–0.69 MPa). A reaction mechanism is proposed to explain the parallel formation of 2,5-dimethyltetrahydrofuran, 2-hexanone, and 2-hexanol. This mechanism is consistent with what is known about the adsorption of DMF on Pt, and explains why ring opening occurs directly from adsorbed DMF and not via secondary reaction of 2,5-dimethyltetrahydrofuran. The kinetics of DMF hydrogenation are well represented by the mechanism and the assumption of non-competitive adsorption of organic species and hydrogen atoms. The step involving C—O bond cleavage of the aromatic ring had the highest activation energy, 45.4 kJ/mol, and is favored over the steps involving C═C bond hydrogenation of the furan ring at elevated temperatures and low p H2 . Finally, the reaction kinetics reveal that DMF hydrogenation can be tuned to produce 2-hexanone with 92% selectivity at 100% conversion under relatively mild liquid phase conditions (0.41 MPa, 393 K).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Field-assisted suppression of coke in the methane steam reforming reaction

Electric fields were applied to an unsupported nickel catalyst during methane steam reforming with a low steam-to-methane ratio of 2:1. As expected, catalysts operated in standard mode (without an applied field) experienced high levels of coking. Coke formation was almost completely suppressed by the application of a positive electric field. This is explained using density functional theory computations which indicate that positive electric fields (1) increase the affinity for water adsorption on the surface, thereby increasing the amount of oxygen available to remove carbon, (2) stabilize individual carbon fragments, thus reducing their tendency to polymerize, and (3) increase the oxygen storage capabilities of the catalyst by inducing sub-surface oxygen formation and bulk oxidation.

Gray, Jake T.↗
DOE OSTI2022

Luminescence dosimetry for evaluation of the external exposure in Metlino, upper Techa River valley, Southern Urals, Russia: Analysis of new results

Luminescence dosimetry was applied in the former settlement of Metlino, Southern Urals, Russia as part of a full-scale study to validate the Techa River Dosimetry System (TRDS) 2016 for the upper Techa River region. The village, which was evacuated in 1956, was located 7 km downstream of the release point of liquid radioactive waste by the Mayak plutonium facility. Several brick samples were taken from north-eastern and south-eastern walls of the granary, facing the former Techa river shoreline and floodplain. Samples were all taken at the same height and measured at different depths into the brick. For the majority of brick samples, good Optically Stimulated Luminescence properties of the quartz grains were observed. In some cases, however, strong levels of sensitization and/or signal recuperation were encountered which necessitated adjustment in the measurement protocols. Anthropogenic doses in bricks varied from 1.5 to 6.6 Gy and the horizontal profiles along both walls showed significant variation, which is explained on a qualitative basis. Further, a dose depth profile is observed for selected samples, which is different from the dose depth profile measured and simulated for samples from the north-western wall of the granary in previous studies. This is qualitatively explained by the differences in source configuration.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2011

Climate change effects on soil microarthropod abundance and community structure

Long-term ecosystem responses to climate change strongly depend on how the soil subsystem and its inhabitants respond to these perturbations. Using open-top chambers, we studied the response of soil microarthropods to single and combined effects of ambient and elevated atmospheric [CO{sub 2}], ambient and elevated temperatures and changes in precipitation in constructed old-fields in Tennessee, USA. Microarthropods were assessed five years after treatments were initiated and samples were collected in both November and June. Across treatments, mites and collembola were the most dominant microarthropod groups collected. We did not detect any treatment effects on microarthropod abundance. In November, but not in June, microarthropod richness, however, was affected by the climate change treatments. In November, total microarthropod richness was lower in dry than in wet treatments, and in ambient temperature treatments, richness was higher under elevated [CO{sub 2}] than under ambient [CO{sub 2}]. Differential responses of individual taxa to the climate change treatments resulted in shifts in community composition. In general, the precipitation and warming treatments explained most of the variation in community composition. Across treatments, we found that collembola abundance and richness were positively related to soil moisture content, and that negative relationships between collembola abundance and richness and soil temperature could be explained by temperature-related shifts in soil moisture content. Our data demonstrate how simultaneously acting climate change factors can affect the structure of soil microarthropod communities in old-field ecosystems. Overall, changes in soil moisture content, either as direct effect of changes in precipitation or as indirect effect of warming or elevated [CO{sub 2}], had a larger impact on microarthropod communities than did the direct effects of the warming and elevated [CO{sub 2}] treatments. Moisture-induced shifts in soil microarthropod abundance and community composition may have important impacts on ecosystem functions, such as decomposition, under future climatic change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

S5 0716+714: GeV variability study

The GeV observations by Fermi-LAT give us the opportunity to characterize the high-energy emission (100 MeV–300 GeV) variability properties of the BL Lac object S5 0716+714. In this study, we performed flux and spectral analysis of more than 3 year long (August 2008 to April 2012) Fermi-LAT data of the source. During this period, the source exhibits two different modes of flux variability with characteristic timescales of ~75 and ~140 days, respectively. In addition, we also notice that the flux variations are characterized by a weak spectral hardening. The GeV spectrum of the source shows a clear deviation from a simple power law, and is better explained by a broken power law. Similar to other bright Fermi blazars, the break energy does not vary with the source flux during the different activity states. Finally, we discuss several possible scenarios to explain the observed spectral break.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

Solution NMR structure of the V27A drug resistant mutant of influenza A M2 channel

Research highlights: {yields} This paper reports the structure of the V27A drug resistant mutant of the M2 channel of influenza A virus. {yields} High quality NMR data allowed a better-defined structure for the C-terminal region of the M2 channel. {yields} Using the structure, we propose a proton transfer pathway during M2 proton conduction. {yields} Structural comparison between the wildtype, V27A and S31N variants allowed an in-depth analysis of possible modes of drug resistance. {yields} Distinct feature of the V27A channel pore also provides an explanation for its faster rate of proton conduction. -- Abstract: The M2 protein of influenza A virus forms a proton-selective channel that is required for viral replication. It is the target of the anti-influenza drugs, amantadine and rimantadine. Widespread drug resistant mutants, however, has greatly compromised the effectiveness of these drugs. Here, we report the solution NMR structure of the highly pathogenic, drug resistant mutant V27A. The structure reveals subtle structural differences from wildtype that maybe linked to drug resistance. The V27A mutation significantly decreases hydrophobic packing between the N-terminal ends of the transmembrane helices, which explains the looser, more dynamic tetrameric assembly. The weakened channel assembly can resist drug binding either by destabilizing the rimantadine-binding pocket at Asp44, in the case of the allosteric inhibition model, or by reducing hydrophobic contacts with amantadine in the pore, in the case of the pore-blocking model. Moreover, the V27A structure shows a substantially increased channel opening at the N-terminal end, which may explain the faster proton conduction observed for this mutant. Furthermore, due to the high quality NMR data recorded for the V27A mutant, we were able to determine the structured region connecting the channel domain to the C-terminal amphipathic helices that was not determined in the wildtype structure. The new structural data show that the amphipathic helices are packed much more closely to the channel domain and provide new insights into the proton transfer pathway.

60 APPLIED LIFE SCIENCES↗