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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Separating physical impacts from natural variability using piggybacking technique

Abstract. In a chaotic system, like moist convection, it is difficult to separate the impact of a physical process from effects of natural variability. This is because modifying even a small element of the system physics typically leads to a different system evolution and it is difficult to tell whether the difference comes from the physical impact or it merely represents a different flow realization. This paper discusses a relatively simple and computationally efficient modelling methodology that allows separation of the two. The methodology is referred to as the piggybacking approach. The idea is to use two sets of thermodynamic variables (the temperature, water vapor, and all aerosol, cloud, and precipitation variables) in a single cloud simulation. The two sets differ in a specific element of the physics, such as aerosol properties, microphysics parameterization, large-scale forcing, environmental profiles, etc. One thermodynamic set is coupled to the dynamics and drives the simulated flow, and the other set piggybacks the flow, that is, thermodynamic variables are carried by the flow but they do not affect it. By switching the two sets (i.e. the set driving the simulation becomes the piggybacking one, and vice versa), the impact on the cloud dynamics can be evaluated. This paper provides details of the method and reviews results of its application to such problems as the postulated deep convection invigoration in polluted environments, the impact of changes in environmental profiles (e.g., due to climate change) on convective dynamics, and the role of cloud-layer heterogeneities for shallow convective cloud field evolution. Prospects for applying piggybacking technique to other areas of atmospheric simulation (e.g., weather prediction or geoengineering) are also mentioned.

Grabowski, Wojciech W.↗
DOE OSTI2018

Enhanced piezoelectric properties in (Ba1-xCax)(Ti0.90Sn0.10)O3-0.08Dy2O3 lead-free ceramics

Highlights: • MPB exists in the BCTSD ceramics with x = 0.06–0.10. • BCTSD ceramics exhibit typical diffuse phase transition behavior, which is not sensitive to the amount of Ca{sup 2+} ions. • Remarkable improvement on piezoelectric properties (d{sub 33} = 675 pC/N, k{sub p} = 55%) were achieved at x = 0.06. - Abstract: (Ba{sub 1-x}Ca{sub x})(Ti{sub 0.90}Sn{sub 0.10})O{sub 3}-0.08Dy{sub 2}O{sub 3} ceramics (BCTSD-x, x = 0.02–0.10) were fabricated by conventional solid state sintering method. The effect of Ca{sup 2+} ions addition on the phase structure, microstructure, and electric properties of ceramics were studied. X-ray diffraction analysis reveals the replacement of Ba{sup 2+} ions in the perovskite structure by Ca{sup 2+} ions. Rhombohedral phase and tetragonal phase coexist in the composition with x = 0.06–0.10. Both d{sub 33} and K{sub p} of the ceramics increase with increasing Ca concentration, and attain maximum values of 675 pC/N and 55.0%, respectively, for x = 0.06. All the ceramics present typical diffuse phase transition behavior, and the feature is not sensitive to the amount of Ca{sup 2+} ions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Neutron Leakage Spectra of the EUCLID Experiment [Abstract]

Integral experiments with sub-critical and critical configurations of special nuclear material are performed in support of nuclear data validation and adjustment. Different nuclear data evaluations may have different values for individual cross sections due to uncertainties in (or lack of) differential experiments, but compensating errors in these data sets can lead to the same k eff results for one application while vastly different for another application. One example of this is 239 Pu, where both ENDF/B-VIII.0 and JEFF-3.3 correctly compute k eff of the Jezebel critical assembly, but the individual contributions from each reaction are vastly different. To help resolve this specific case, the Experiments Underpinned by Computational Learning for Improvements in Nuclear Data (EUCLID) project used machine learning to design a set of experiments to help resolve the compensating errors in 239 Pu. A total of six responses were measured during the experimental campaign, which constrain the data in ways that k eff alone cannot and will be used for adjustment of the nuclear data. One of these responses is the neutron leakage spectrum, which recent work has shown to be useful for constraining the prompt fission neutron spectrum and inelastic scattering. The neutron leakage spectra were measured utilizing a 3 in. right cylinder EJ-301D detector. The measured signal in the detector was deconvoluted using spectrum unfolding techniques, which are presented and compared to simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Linkages of Remote Sea Surface Temperatures and Atlantic Tropical Cyclone Activity Mediated by the African Monsoon

Warm sea surface temperatures (SSTs) in North Atlantic and Mediterranean (NAMED) can influence tropical cyclone (TC) activity in the tropical East Atlantic by modulating summer convection over western Africa. Analysis of 30 years of observations show that the NAMED SST is linked to a strengthening of the Saharan heat low and enhancement of moisture and moist static energy in the lower atmosphere over West Africa, which favors a northward displacement of the monsoonal front. These processes also lead to a northward shift of the African easterly jet that introduces an anomalous positive vorticity from western Africa to the main development region (50W–20E; 10N–20N) of Atlantic TC. By modulating multiple processes associated with the African monsoon, this study demonstrates that warm NAMED SST explains 8% of interannual variability of Atlantic TC frequency. Thus NAME SST may provide useful predictability for Atlantic TC activity on seasonal-to-interannual time scale.

African↗
DOE OSTI2021

Reaching the Excitonic Limit in 2D Janus Monolayers by In Situ Deterministic Growth

Abstract Named after the two‐faced Roman god of transitions, transition metal dichalcogenide (TMD) Janus monolayers have two different chalcogen surfaces, inherently breaking the out‐of‐plane mirror symmetry. The broken mirror symmetry and the resulting potential gradient lead to the emergence of quantum properties such as the Rashba effect and the formation of dipolar excitons. Experimental access to these quantum properties, however, hinges on the ability to produce high‐quality 2D Janus monolayers. Here, these results introduce a holistic 2D Janus synthesis technique that allows real‐time monitoring of the growth process. This prototype chamber integrates in situ spectroscopy, offering fundamental insights into the structural evolution and growth kinetics, that allow the evaluation and optimization of the quality of Janus monolayers. The versatility of this method is demonstrated by synthesizing and monitoring the conversion of SWSe, SNbSe, and SMoSe Janus monolayers. Deterministic conversion and real‐time data collection further aid in conversion of exfoliated TMDs to Janus monolayers and unparalleled exciton linewidth values are reached, compared to the current best standard. The results offer an insight into the process kinetics and aid in the development of new Janus monolayers with high optical quality, which is much needed to access their exotic properties.

2D materials↗
DOE OSTI2017

Circumventing UV Light Induced Nanomorphology Disorder to Achieve Long Lifetime PTB7‐Th:PCBM Based Solar Cells

Abstract Large area flexible electronics rely on organic or hybrid materials prone to degradation limiting the device lifetime. For many years, photo‐oxidation has been thought to be one of the major degradation pathways. However, intense illumination may lead to a burn‐in or a rapid decrease in performance for devices completely isolated from corrosive elements as oxygen or moisture. The experimental studies which are presented in here indicate that a plausible triggering for the burn‐in is a spin flip after a UV photon absorption leading to the accumulation of electrostatic potential energy that initiates a rapid destruction of the nanomorpholgy in the fullerene phase of a polymer cell. To circumvent this and achieve highly stable and efficient devices, a robust nanocrystalline ordering is induced in the PCBM phase prior to UV illumination. In that event, PTB7‐Th:PC 71 BM cells are shown to exhibit T 80 lifetimes larger than 1.6 years under a continuous UV‐filtered 1‐sun illumination, equivalent to 7 years for sunlight harvesting at optimal orientation and 10 years for vertical applications.

Liu, Quan↗
DOE OSTI2019

Dimethyl‐methylphenyl copolysiloxanes by dimethylsilanolate‐initiated ring opening polymerization. Evidence for linearity of the resulting polymer structures

ABSTRACT Recently, we reported that dimethylsilanolate‐initiated anionic ring opening polymerization of dimethylsiloxy‐ and diphenylsiloxy‐cyclic siloxanes results in polymer chain branching by dimethylsilanolate‐induced cleavage of only one Si‐C Ar side bond in diphenylsiloxy repeat units, leading to formation of “Ph‐T‐branches”, and not extending to the cleavage of the second phenyl group. We attributed this behavior to electronic structures of the participating dimethylsiloxy‐, diphenylsiloxy and Ph‐T‐branch silicons and predicted that copolymers prepared by this synthetic route from dimethylsiloxy‐ and methylphenylsiloxy‐cyclics should not undergo branching at all but should have perfect linear chain configuration. Here, we describe results of a study of two such dimethylsilanolate‐initiated ring opening polymerizations of dimethylsiloxy‐ and methyphenylsiloxy‐cyclic tetramers and characterization of the resulting polymers by SEC‐MALS‐VIS, Mark‐Houwink‐Sakurada relationship and 29 Si NMR. The results obtained clearly confirmed our prediction of expected linearity of these polymer chains and also indicated that the resulting polymers were completely amorphous even at as low methylphenylsiloxy‐content as 3.9 mol %. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019 , 57, 1122–1129

Zlatanic, Alisa↗
DOE OSTI2022

Hidden Sectors from Multiple Line Bundles for the B−L$B-L$ MSSM

Abstract We give a formalism for constructing hidden sector bundles as extensions of sums of line bundles in heterotic M‐theory. Although this construction is generic, we present it within the context of the specific Schoen threefold that leads to the physically realistic MSSM model. We discuss the embedding of the line bundles, the existence of the extension bundle, and a number of necessary conditions for the resulting bundle to be slope‐stable and thus supersymmetric. An explicit example is presented, where two line bundles are embedded into the factor of the maximal subgroup of the hidden sector E 8 gauge group, and then enhanced to a non‐Abelian bundle by extension. For this example, there are in fact six inequivalent extension branches, significantly generalizing that space of solutions compared with hidden sectors constructed from a single line bundle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Enhanced Quantum Synchronization via Quantum Machine Learning

Abstract The quantum synchronization between a pair of two‐level systems inside two coupled cavities is studied. By using a digital–analog decomposition of the master equation that rules the system dynamics, it is shown that this approach leads to quantum synchronization between both two‐level systems. Moreover, in this digital–analog block decomposition, the fundamental elements of a quantum machine learning protocol can be identified, in which the agent and the environment (learning units) interact through a mediating system, namely, the register. If the algorithm can be additionally equipped with a classical feedback mechanism, which consists of projective measurements in the register, reinitialization of the register state, and local conditional operations on the agent and environment subspace, a powerful and flexible quantum machine learning protocol emerges. Indeed, numerical simulations show that this protocol enhances the synchronization process, even when every subsystem experiences different loss/decoherence mechanisms, and gives the flexibility to choose the synchronization state. Finally, an implementation is proposed, based on current technologies in superconducting circuits.

Cárdenas‐López, Francisco A.↗
DOE OSTI2018

The effect of Cerium addition on microstructure and mechanical properties of high pressure die cast Mg-5Sn alloy

Highlights: • The alloying additive has good grain refinement effect. • The addition of Ce to the Mg-5Sn alloy led to the formation of the new intermetallic phases CeMgSn and Ce{sub 5}Sn{sub 4}. • The hardness, yield and tensile strength of Mg-5Sn alloy were improved with addition of Ce. • The elongation of Mg-5Sn was increased up to 5wt.%Ce addition, and then decreased with addition of 7 wt.%Ce. • The yield and tensile strength of the Ce added alloy were higher than those of the base alloy at elevated temperatures. - Abstract: The effect of Cerium addition to Mg-5Sn alloy and its influence on the microstructure and mechanical properties of the alloy were investigated in this work. The microstructural investigations indicate that the alloying addition of Ce leads to effective grain refinement. Also, it was observed that adding Ce to the Mg-5Sn alloy results in the formation of new phases in the alloy such as Ce{sub 5}Sn{sub 4} and CeMgSn. These intermetallic phases were considered to be effective on the enhancement of the hardness of Mg-5Sn alloy. Furthermore, the tensile test results at room temperature and elevated temperatures revealed that the yield and tensile strength of the Ce added alloy were higher than those of the base alloy. The elongation was also improved up to 5 wt% Ce addition while higher amounts decreased the elongation both at room and elevated temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Non-equilibrium approach to prediction of microstructure evolution for metals undergoing severe plastic deformation

Highlights: • New consistent physically-based model of dynamic recrystallization. • The model is based on evolution of fraction of high-angle grain boundaries. • Possibility to predict the evolution of dislocation cells and grain boundaries. • The model is implemented for FEM simulations. • Results demonstrate inhomogeneous distribution of strain within the sample. - Abstract: Available models of dynamic recrystallization have a number of disadvantages that in most cases make them inapplicable for practical predictions of material microstructure evolution. Both the microstructural and the empirically based approaches do not reflect physical processes leading to evolution of material defect structure in the process of plastic deformation. This work presents an attempt to develop a consistent physically-based model of dynamic recrystallization. This model, accounting for physical nature of processes of material defect structure evolution, should provide a possibility to predict evolution of several different experimentally measurable parameters of material microstructure without introduction of big number of fitting parameters. It is suggested that such a model should be based on equation for evolution of fraction of high-angle grain boundaries (HAGBs) in the process of deformation. It is shown, that the new model gives a possibility to predict the evolution of dislocation cells and grain boundaries in copper-based alloys providing good coincidence with experimental observations. Full 3-dimensional numerical simulation of multidirectional forging of copper is performed utilizing the developed dynamic recrystallization model. The same 3D simulations demonstrate new noteworthy effects connected to inhomogeneous distribution of plastic strain within the bulk of the material and material strain hardening.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Characterization of biochar prepared from biogas digestate

Highlights: • Solid digestate (SD) is a potential feedstock for preparing biochars. • The optimal BET surface area of resulting biochar from SD is over 100 m{sup 2}/g. • The higher temperature leads to the increase in true density of resulting biochar, but exhibited a decreased higher heating value. • The SD-based biochar may be used as a biofertilizer due to the mesoporosity and the abundant in nutrient minerals. - Abstract: In the study, the biogas digestate was evaluated as a potential feedstock for preparing biochars at a broad temperature range of 300–900 °C. The physico-chemical and pore properties of the resulting biochars (denoted as SDBC, solid digestate biochar), including calorific value (higher heating value), surface area/pore volume/pore size distribution, true density, scanning electron microscopy – energy dispersive X-ray spectroscopy (SEM-EDS) and X-ray powder diffraction (XRD), were studied. It was found that the higher heating values of the SDBC products were on a decreasing trend as pyrolysis temperature increased, but they indicated an increase in true density. The results are probably associated with the active pyrolysis of the lignocellulosic fragments and the calcination (or shrinkage) processes, thus resulting in the increased contents of aromatic carbon clusters and main mineral constituents remained. Based on the pore properties, pyrolysis temperature at around 800 °C seemed to be the optimal condition for producing SDBC, where its Brunauer-Emmet-Teller (BET) surface area (>100 m{sup 2}/g) largely increased as compared to that of the digestate feedstock (<1 m{sup 2}/g). Furthermore, the main compositions of mineral ash in the resulting biochar could exist as phosphates, carbonates, or oxides of calcium and other alkali/alkaline earth elements. According to the data on EDS and XRD, more pores could be significantly generated under severe pyrolysis (>700 °C) due to the high aromaticity via the thermal decomposition of lignocelluloses and the volatilization of inorganic minerals.

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

Acoustic Energy Release During the Laboratory Seismic Cycle: Insights on Laboratory Earthquake Precursors and Prediction

Abstract Machine learning can predict the timing and magnitude of laboratory earthquakes using statistics of acoustic emissions. The evolution of acoustic energy is critical for lab earthquake prediction; however, the connections between acoustic energy and fault zone processes leading to failure are poorly understood. Here, we document in detail the temporal evolution of acoustic energy during the laboratory seismic cycle. We report on friction experiments for a range of shearing velocities, normal stresses, and granular particle sizes. Acoustic emission data are recorded continuously throughout shear using broadband piezo‐ceramic sensors. The coseismic acoustic energy release scales directly with stress drop and is consistent with concepts of frictional contact mechanics and time‐dependent fault healing. Experiments conducted with larger grains (10.5 μm) show that the temporal evolution of acoustic energy scales directly with fault slip rate. In particular, the acoustic energy is low when the fault is locked and increases to a maximum during coseismic failure. Data from traditional slide‐hold‐slide friction tests confirm that acoustic energy release is closely linked to fault slip rate. Furthermore, variations in the true contact area of fault zone particles play a key role in the generation of acoustic energy. Our data show that acoustic radiation is related primarily to breaking/sliding of frictional contact junctions, which suggests that machine learning‐based laboratory earthquake prediction derives from frictional weakening processes that begin very early in the seismic cycle and well before macroscopic failure.

58 GEOSCIENCES↗
DOE OSTI2019

Electronic band tuning under pressure in MoTe2 topological semimetal

Abstract Topological superconductors (TSC) can host exotic quasiparticles such as Majorana fermions, poised as the fundamental qubits for quantum computers. TSC’s are predicted to form a superconducting gap in the bulk, and gapless surface/edges states which can lead to the emergence of Majorana zero energy modes. A candidate TSC is the layered dichalcogenide MoTe 2 , a type-II Weyl (semi)metal in the non-centrosymmetric orthorhombic (T d ) phase. It becomes superconducting upon cooling below 0.25 K, while under pressure, superconductivity extends well beyond the structural boundary between the orthorhombic and monoclinic (1T′) phases. Here, we show that under pressure, coupled with the electronic band transition across the T d to 1T′ phase boundary, evidence for a new phase, we call T d * is observed and appears as the volume fraction of the T d phase decreases in the coexistence region. T d * is most likely centrosymmetric. In the region of space where T d * appears, Weyl nodes are destroyed. T d * disappears upon entering the monoclinic phase as a function of temperature or on approaching the suppression of the orthorhombic phase under pressure above 1 GPa. Our calculations in the orthorhombic phase under pressure show significant band tilting around the Weyl nodes that most likely changes the spin-orbital texture of the electron and hole pockets near the Fermi surface under pressure that may be linked to the observed suppression of magnetoresistance with pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Exceptional points in classical spin dynamics

Abstract Non-conservative physical systems admit a special kind of spectral degeneracy, known as exceptional point (EP), at which eigenvalues and eigenvectors of the corresponding non-Hermitian Hamiltonian coalesce. Dynamical parametric encircling of the EP can lead to non-adiabatic evolution associated with a state flip, a sharp transition between the resonant modes. Physical consequences of the dynamical encircling of EPs in open dissipative systems have been explored in optics and photonics. Building on the recent progress in understanding the parity-time ( $${\mathscr{P}}{\mathscr{T}}$$ P T )-symmetric dynamics in spin systems, we use topological properties of EPs to implement chiral non-reciprocal transmission of a spin through the material with non-uniform magnetization, like helical magnet. We consider an exemplary system, spin-torque-driven single spin described by the time-dependent non-Hermitian Hamiltonian. We show that encircling individual EPs in a parameter space results in non-reciprocal spin dynamics and find the range of optimal protocol parameters for high-efficiency asymmetric spin filter based on this effect. Our findings offer a platform for non-reciprocal spin devices for spintronics and magnonics.

36 MATERIALS SCIENCE↗
DOE OSTI2015

HERSCHEL SURVEY OF GALACTIC OH{sup +}, H{sub 2}O{sup +}, AND H{sub 3}O{sup +}: PROBING THE MOLECULAR HYDROGEN FRACTION AND COSMIC-RAY IONIZATION RATE

In diffuse interstellar clouds the chemistry that leads to the formation of the oxygen-bearing ions OH{sup +}, H{sub 2}O{sup +}, and H{sub 3}O{sup +} begins with the ionization of atomic hydrogen by cosmic rays, and continues through subsequent hydrogen abstraction reactions involving H{sub 2}. Given these reaction pathways, the observed abundances of these molecules are useful in constraining both the total cosmic-ray ionization rate of atomic hydrogen (ζ{sub H}) and molecular hydrogen fraction (f{sub H{sub 2}}). We present observations targeting transitions of OH{sup +}, H{sub 2}O{sup +}, and H{sub 3}O{sup +} made with the Herschel Space Observatory along 20 Galactic sight lines toward bright submillimeter continuum sources. Both OH{sup +} and H{sub 2}O{sup +} are detected in absorption in multiple velocity components along every sight line, but H{sub 3}O{sup +} is only detected along 7 sight lines. From the molecular abundances we compute f{sub H{sub 2}} in multiple distinct components along each line of sight, and find a Gaussian distribution with mean and standard deviation 0.042 ± 0.018. This confirms previous findings that OH{sup +} and H{sub 2}O{sup +} primarily reside in gas with low H{sub 2} fractions. We also infer ζ{sub H} throughout our sample, and find a lognormal distribution with mean log (ζ{sub H}) = –15.75 (ζ{sub H} = 1.78 × 10{sup –16} s{sup –1}) and standard deviation 0.29 for gas within the Galactic disk, but outside of the Galactic center. This is in good agreement with the mean and distribution of cosmic-ray ionization rates previously inferred from H{sub 3}{sup +} observations. Ionization rates in the Galactic center tend to be 10-100 times larger than found in the Galactic disk, also in accord with prior studies.

79 ASTRONOMY AND ASTROPHYSICS↗