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At least 919 records · Page 51

Size-Dependent Nucleation in Crystal Phase Transition from Machine Learning Metadynamics

In this Letter, we present a framework that combines machine learning potential (MLP) and metadynamics to investigate solid-solid phase transition. Here, based on the spectral descriptors and neural networks regression, we develop a scalable MLP model to warrant an accurate interpolation of the energy surface where two phases coexist. Applying it to the simulation of B4–B1 phase transition of GaN under 50 GPa with different model sizes, we observe sequential change of the phase transition mechanism from collective modes to nucleation and growths. When the size is at or below 128 000 atoms, the nucleation and growth appear to follow a preferred direction. At larger sizes, the nuclei occur at multiple sites simultaneously and grow to microstructures by passing the critical size. The observed change of the atomistic mechanism manifests the importance of statistical sampling with large system size in phase transition modeling.

36 MATERIALS SCIENCE↗

Probing the Critical Nucleus Size in the Metal-Insulator Phase Transition of VO 2

In a first-order phase transition, critical nucleus size governs nucleation kinetics, but the direct experimental test of the theory and determination of the critical nucleation size have been achieved only recently in the case of ice formation in supercooled water. The widely known metal-insulator phase transition (MIT) in strongly correlated VO 2 is a first-order electronic phase transition coupled with a solid-solid structural transformation. It is unclear whether classical nucleation theory applies in such a complex case. Here we directly measure the critical nucleus size of the MIT by introducing size-controlled nanoscale nucleation seeds with focused ion irradiation at the surface of a deeply supercooled metal phase of VO 2 . The results compare favorably with classical nucleation theory and are further explained by phase-field modeling. This Letter validates the application of classical nucleation theory as a parametrizable model to describe phase transitions of strongly correlated electron materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Gravitational Wave Signal for Quark Matter with Realistic Phase Transition

The cores of neutron stars (NSs) near the maximum mass can realize a transitional change to quark matter (QM). Gravitational waves from binary NS mergers are expected to convey information about the equation of state (EOS) sensitive to the QM transition. Here, in this work, we present the first results of gravitational wave simulation with the realistic EOS that is consistent with ab initio approaches of χ⁢EFT and pQCD and is assumed to go through smooth crossover. We compare them to results obtained with another EOS with a first-order hadron-quark phase transition. Our results suggest that early collapse to a black hole in the post-merger stage after NS merger robustly signifies softening of the EOS associated with the QM onset in the crossover scenario. The nature of the hadron-quark phase transition can be further constrained by the condition that electromagnetic counterparts should be energized by the material left outside the remnant black hole.

79 ASTRONOMY AND ASTROPHYSICS↗

The mechanism driving a solid–solid phase transition in a biomacromolecular crystal

A solid-solid phase transition (SSPT) occurs between distinguishable crystalline forms. Because of its importance in application and theory in material science and condensed matter physics, SSPT has been studied most extensively in metallic alloys, inorganic salt or small organic molecular crystals, but much less so in biomacromolecular crystals. In general, the mechanism of SSPT at atomic and molecular levels is not well understood. Here, we describe the ordered molecular rearrangements in biomacromolecular crystals of the adenine riboswitch (riboA) aptamer using real-time serial crystallography and solution atomic force microscopy (AFM). The large, ligand-induced conformational changes drive the initial phase transition from the apo unit cell (AUC) to the trans unit cell 1 (TUC1). During this transition, coaxial stacking of P1 duplexes becomes the dominant packing interface, whereas P2-P2 interactions are almost completely disrupted, resulting in “floating” layers of molecules. The coupling points in TUC1 and their local conformational flexibility allow the molecules to reorganize to achieve the more densely packed and energetically favorable bound unit cell (BUC). Our study thus reveals the interplay between the conformational changes and the crystal phases—the underlying mechanism that drives the phase transition. Using polarized video microscopy (PVM) to monitor the SSPT in small crystals at high ligand concentration, we have identified the time window during which the major conformational changes take place, and simulated the in crystallo kinetics. Together, these results provide the spatiotemporal information necessary for informing time-resolved crystallography (TRX) experiments. Moreover, this study illustrates a practical approach to characterize SSPT in transparent crystals.

36 MATERIALS SCIENCE↗

Prediction of the Inter-Tube Flow Mode Transitions in the Evaporators of Multi-Effect Thermal Desalination Plants

Water is one of the most stressed resources on the planet. The limited availability of fresh water and the high cost of transportation have led to an increased interest in water desalination technologies. The two main categories of desalination techniques are membrane desalination and thermal desalination. Membrane technologies include pressure driven and electrical driven membranes. On the other hand, thermal desalination includes: multi-effect desalination (MED), multi-stage flash (MSF) desalination, and mechanical vapor compression desalination. Multi-effect desalination plants are usually made of a series of evaporators (also known as effects). In each effect, hot steam flows inside the tubes and evaporates the seawater that falls on the outside of the tubes. The vapor formed at each effect flows to the next effect and acts as the heating medium for the falling seawater. The prevailing flow mode of the falling seawater (i.e. droplet, jet, or sheet) influences heat and mass transfer as well as dry out in the evaporators of Multi-Effect Desalination (MED) plants. The objective of this paper is to predict and discuss the prevailing falling film flow modes in the evaporators of MED plants, under different operating conditions. The paper demonstrates the transitional Reynolds numbers between the main falling film modes for seawater. This closes a gap in the literature where there is a dearth of mode transition data for seawater. The effect of fluid properties and tube geometry on the transitions is discussed in details. As a result, the accuracy of the predicted transitional Reynolds numbers is evaluated via uncertainty quantification techniques.

availability↗

Magnetic transition behavior in epitaxial Fe 47 Rh 47 Pd 6 films

The properties of Fe–Rh–Pd epitaxial thin films grown on MgO(001) were studied as a function of growth temperature. Films grown above 400°C exhibit a first-order antiferromagnetic to ferromagnetic magnetic phase transition with a transition temperature that decreases as the growth temperature is increased. The chemical order parameter computed from the ratio of intensities of the (001) and (002) diffraction peaks is nearly independent of the growth temperature, while the lattice constants change slightly. A comparison of our structural, magnetic, and electrical transport results with first-principle-based calculations as well as literature results indicates that the transition temperature of Fe–Rh-based alloy films depends sensitively on the lattice parameters and is of electronic origin. The transition temperature and its width can be tuned over a wide range by controlling the crystal structure via growth conditions or postdeposition annealing.

36 MATERIALS SCIENCE↗

Mobility Energy Productivity Evaluation of On-Demand Transit: A Case Study in Arlington, Texas

On-demand transit (ODT) systems are increasing in number and size. To evaluate and quantify outcomes, the research team utilizes the mobility energy productivity (MEP) metric, which is a holistic accessibility measure, to analyze and compare the mobility of various transportation modes in Arlington, Texas. The MEP tool is applied to the ODT system in Arlington, Texas, as well as to five existing transportation modes (driving, transportation network company, transit, biking, and walking). Six ODT scenarios are also analyzed and compared. The analysis is focused on the opportunities that an ODT system presents for transportation disadvantaged communities (DACs) with low rates of car ownership. Although driving received the highest MEP score—a finding typical for a U.S.A. city— the results for the ODT system reveal that it serves those in DACs effectively, helping to achieve an equity design goal. ODT improved the average MEP score across the service area by 83% when considering only accessible, nonprivate vehicle modes (biking, transit, and ODT). For the ODT scenarios, decreasing the wait time by 50% compared with the baseline scenario led to a nearly 160% increase in the MEP score, whereas increasing the ODT travel speed by 21% led to an 80% improvement in the MEP score. As analyzed through the MEP tool, here this paper demonstrates how ODT can enhance mobility, particularly for DACs. The results of an MEP analysis can be used by researchers and transit agencies to compare transportation modes and improve the effectiveness of transportation systems across a service area.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Long Beach Transit BEB Progress Report (Jan-Jun 2019)[Slides]

This report summarizes results of a battery electric bus (BEB) evaluation at Long Beach Transit, located in Southern California. Long Beach Transit is collaborating with the California Air Resources Board and the U.S. Department of Energy’s National Renewable Energy Laboratory (NREL) to evaluate the buses in revenue service. The focus of this evaluation is to compare the performance and the operating costs of the BEBs to that of conventional technology buses and to track progress over time. NREL completed a previous report funded by the Federal Transit Administration that documented results from January 2018 through December 2018. This report extends the data analysis through June 2019. The data period focus of this report is January 2019–June 2019. NREL plans to publish another written report on the Long Beach Transit fleet covering all of 2019.

33 ADVANCED PROPULSION SYSTEMS↗

Parameter study of a Kinetic Phase Transition model

We investigate the ability of the two model parameters in the Kinetic Phase Transition (KPT) model of Carl Greeff to describe phase transitions of various types when combined with the tin Equation of states for the phases, SESAME 2162. While the two parameters are correlated, one combination can be associated with the nucleation process giving rise to the hysteresis seen in phase transition paths in pressure-temperature space and another can be associated with the overall timescale of the transition. We acknowledge the desire to have a model where the parameters are more independent of each other for easier model parameter determination.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hourly Load Profile Dataset for Electric Transit Bus Depots in the United States

Transit buses operate primarily in dense urban areas, where nearby populations face increased exposure to fine particulates, nitrogen oxides, and other harmful pollutants. Electrifying transit buses presents a clear opportunity to reduce greenhouse gas emissions and improve urban air quality. However, widespread adoption may pose significant energy and infrastructure challenges, which can be mitigated through proactive planning and investment. This report presents a robust modeling framework and an initial estimation of the hourly electricity demand at transit bus depots across the United States. The resulting depot-level dataset, available at data.nrel.gov/submissions/282, provides valuable insights for infrastructure planning and electricity demand forecasting, supporting the scalable electrification of transit bus fleets nationwide.

33 ADVANCED PROPULSION SYSTEMS↗

Green microalga Chromochloris zofingiensis conserves substrate uptake pattern but changes their metabolic uses across trophic transition

The terrestrial green alga Chromochloris zofingiensis is an emerging model species with potential applications including production of triacylglycerol or astaxanthin. How C. zofingiensis interacts with the diverse substrates during trophic transitions is unknown. To characterize its substrate utilization and secretion dynamics, we cultivated the alga in a soil-based defined medium in transition between conditions with and without glucose supplementation. Then, we examined its exometabolite and endometabolite profiles. This analysis revealed that regardless of trophic modes, C. zofingiensis preferentially uptakes exogenous lysine, arginine, and purines, while secreting orotic acid. Here, we obtained metabolomic evidences that C. zofingiensis may use arginine for putrescine synthesis when in transition to heterotrophy, and for the TCA cycle during transition to photoautotrophy. We also report that glucose and fructose most effectively inhibited photosynthesis among thirteen different sugars. The utilized or secreted metabolites identified in this study provide important information to improve C. zofingiensis cultivation, and to expand its potential industrial and pharmaceutical applications.

59 BASIC BIOLOGICAL SCIENCES↗

Solving Cassini's Data Glitch Problem during Coherency Mode Transition for Titan Radar Observations

We describe the problem of regular small telemetry losses incurred during coherency mode transitions in Cassini's telecommunication. The project did not originally plan any corrective steps for avoiding these data losses, because of 1) the disparity between the small durations of the transitions (1-2 min) and large playback capability losses (15 min) needed for bracketing the transition time spans and 2) the unpredictable content of data downlinking during the transitions. However, as the intense science data return from the tour began, it became apparent that the impact of these small losses can sometimes be significant. We provide two examples of the impact on Radar-dedicated Titan flybys.

telecommunications↗

Exoplanet Transit Spectroscopy Using WFC3: WASP-12b, WASP-17b, and WASP-19b

We report an analysis of transit spectroscopy of the extrasolar planets WASP-12 b, WASP-17 b, and WASP-19 b using the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST). We analyze the data for a single transit for each planet using a strategy similar, in certain aspects, to the techniques used by Berta et al., but we extend their methodology to allow us to correct for channel- or wavelength-dependent instrumental effects by utilizing the band-integrated time series and measurements of the drift of the spectrum on the detector over time. We achieve almost photon-limited results for individual spectral bins, but the uncertainties in the transit depth for the band-integrated data are exacerbated by the uneven sampling of the light curve imposed by the orbital phasing of HST's observations. Our final transit spectra for all three objects are consistent with the presence of a broad absorption feature at 1.4 microns most likely due to water. However, the amplitude of the absorption is less than that expected based on previous observations with Spitzer, possibly due to hazes absorbing in the NIR or non-solar compositions. The degeneracy of models with different compositions and temperature structures combined with the low amplitude of any features in the data preclude our ability to place unambiguous constraints on the atmospheric composition without additional observations with WFC3 to improve the signal-to-noise ratio and/or a comprehensive multi-wavelength analysis. Key words: planetary systems - techniques: photometric - techniques: spectroscopic

HST↗

Transition Delay in Hypersonic Boundary Layers via Optimal Perturbations

The effect of nonlinear optimal streaks on disturbance growth in a Mach 6 axisymmetric flow over a 7deg half-angle cone is investigated in an e ort to expand the range of available techniques for transition control. Plane-marching parabolized stability equations are used to characterize the boundary layer instability in the presence of azimuthally periodic streaks. The streaks are observed to stabilize nominally planar Mack mode instabilities, although oblique Mack mode disturbances are destabilized. Experimentally measured transition onset in the absence of any streaks correlates with an amplification factor of N = 6 for the planar Mack modes. For high enough streak amplitudes, the transition threshold of N = 6 is not reached by the Mack mode instabilities within the length of the cone, but subharmonic first mode instabilities, which are destabilized by the presence of the streaks, reach N = 6 near the end of the cone. These results suggest a passive flow control strategy of using micro vortex generators to induce streaks that would delay transition in hypersonic boundary layers.

Boundary layer transition↗

The Impact of Stellar Variability on the Detection of Transiting Earth-like Planets

Stellar variability represents a key limitation on the detectability of weak transit signatures of small, Earth-size planets with space-based missions such as NASA's Kepler Mission or ESA's PLATO Mission. The expectations for the performance of the Kepler Mission in the face of solar-like variability were predicated on observations of the Sun with the Variability of Solar Irradiance and Gravity Oscillations (VIRGO) instrument aboard NASA and ESA's joint Solar and Heliospheric Observatory (SOHO) mission, which was launched in December 1995. Analyses of SOHO data indicated that solar-like variability would contribute approx.10 ppm to Kepler's noise budget at 6.5 ours, a typical grazing transit timescale. This proved to be optimistic as the typical 12th mag G2V star in the Kepler field of view exhibited 20 ppm of stellar variability-related noise at 6.5 hours, making the detection of true Earth-Sun analogs more difficult. While the consequent increase in the total noise at 6.5 hours from 20 ppm to 30 ppm could have been overcome by extending the mission to a total duration of 7 to 8 years. Unfortunately, a second reaction wheel failed in May 2013, ending the Kepler primary mission. Nevertheless, Kepler proved to be a veritable cornucopia of science results, both for exoplanets and for astrophysics. The phenomenal photometric precision and continuous observations required in order to identify small, rocky transiting planets enables the study of a large range of phenomena contributing to stellar variability for many thousands of solar-like stars in Kepler's field of view in exquisite detail. These effects range from less than 1 ppm acoustic oscillations on timescales from a few minutes and longward, to flares on timescales of hours, to spot-induced modulation on timescales of days to weeks to activity cycles on timescales of months to years. Kepler discovered over 2600 validated and confirmed exoplanets, and measured the pressure-mode oscillations of over 15000 stars over the course of its mission and the reconstituted K2 mission. We present the adaptive, wavelet-based matched filter used for both the Kepler and the TESS missions, and discuss the connections between this detection algorithm and fundamental detection theory, which allows the detector to function as a noise characterization engine. This provides a dynamical measurement of the photometric noise at transit timescales and thus, a key performance metric for missions like PLATO and Kepler. We give an overview of the stellar variability we see across the full range of spectral types observed by Kepler, from the cool, small red M stars to the hot, large late A stars, both in terms of amplitude as well as timescale.

transit surveys↗

The Impact of Stellar Variability on the Detection of Transiting Earth-Like Planets

Stellar variability represents a key limitation on the detectability of weak transit signatures of small, Earth-size planets with space-based missions such as NASA's Kepler Mission or ESA's PLATO Mission. The expectations for the performance of the Kepler Mission in the face of solar-like variability were predicated on observations of the Sun with the Variability of Solar Irradiance and Gravity Oscillations (VIRGO) instrument aboard NASA and ESA's joint Solar and Heliospheric Observatory (SOHO) mission, which was launched in December 1995. Analyses of SOHO data indicated that solar-like variability would contribute ~10 ppm to Kepler's noise budget at 6.5 ours, a typical grazing transit timescale. This proved to be optimistic as the typical 12th mag G2V star in the Kepler field of view exhibited 20 ppm of stellar variability-related noise at 6.5 hours, making the detection of true Earth-Sun analogs more difficult. While the consequent increase in the total noise at 6.5 hours from 20 ppm to 30 ppm could have been overcome by extending the mission to a total duration of 7 to 8 years. Unfortunately, a second reaction wheel failed in May 2013, ending the Kepler primary mission. Nevertheless, Kepler proved to be a veritable cornucopia of science results, both for exoplanets and for astrophysics. The phenomenal photometric precision and continuous observations required in order to identify small, rocky transiting planets enables the study of a large range of phenomena contributing to stellar variability for many thousands of solar-like stars in Kepler's field of view in exquisite detail. These effects range from <1 ppm acoustic oscillations on timescales from a few minutes and longward, to flares on timescales of hours, to spot-induced modulation on timescales of days to weeks to activity cycles on timescales of months to years. Kepler discovered over 2600 validated and confirmed exoplanets, and measured the pressure-mode oscillations of over 15000 stars over the course of its mission and the reconstituted K2 mission. We present the adaptive, wavelet-based matched filter used for both the Kepler and the TESS missions, and discuss the connections between this detection algorithm and fundamental detection theory, which allows the detector to function as a noise characterization engine. This provides a dynamical measurement of the photometric noise at transit timescales and thus, a key performance metric for missions like PLATO and Kepler. We give an overview of the stellar variability we see across the full range of spectral types observed by Kepler, from the cool, small red M stars to the hot, large late A stars, both in terms of amplitude as well as timescale.

exoplanets↗

Shock-Wave/Boundary-Layer Interaction (SWBLI) Experiments in the Presence of Transition-to-Turbulence on a Flat Plate Model in the NASA LaRC 31-Inch Mach 10 Air Tunnel

Historically, there have been a limited number of studies involving Transitional Shock-Wave/Boundary-Layer Interactions (XSWBLI) in hypersonic flows, the majority of which have been performed at Mach Numbers of 7.5 and below. Additionally, there have been even fewer such experiments which incorporate non-intrusive and optical diagnostics. NASA Langley Research Center (NASA LaRC), in collaboration with The University of Texas at San Antonio (UTSA) and The University of Tennessee Space Institute (UTSI), is currently planning and preparing for a series of experimental aerodynamic tests using the NASA LaRC 31-inch Mach 10 Air Tunnel. The experiments will primarily focus on studying the dynamics of Shock-Wave/Boundary-Layer Interactions (SWBLI) in the presence of transition (XSWBLI) and turbulence (SWTBLI) on a large, flat plate model at a freestream Mach number of 10. Besides continued interest in understanding the flow at high Mach numbers, executing such tests at Mach 10 avoids some known concerns and will aid in solving new problems. XSWBLI are a highly unsteady phenomena and the generation of XSWBLI at lower Mach numbers can prove to be a significant challenge. This concern will be somewhat mitigated in the Mach 10 flow, as boundary layers become increasingly stabilized, but some difficulty in achieving transition is still expected. Modelling SWBLI in the presence of transitional and turbulent boundary layers has also proven to be difficult, so a high-Mach number experiment which applies non-intrusive and optical diagnostics will aid in solving a unique problem as well as advancing the understanding and characterization of an aerodynamic surface at Mach 10.The NASA LaRC 31-inch Wind Tunnel incorporates a test section having a cross-section of 31-inches × 31-inches and provides optical access to the test section via three (3) ultra-violet (UV) transmitting windows on the top, side, and bottom. The Mach 10 operating conditions will consist of pressures (P0) ranging from 2.4 to 10MPa (348 to 1,450 psi) at a temperature (T0) of 1,000 K (1,800 °R). The NASA LaRC 31-inch wind tunnel will deliver 1-minute blow-down runs, of which 30-45 seconds will be consumed to reach the aforementioned test conditions. The pump down time between runs will be approximately 45-60 minutes, which will provide for 6-10 test runs per day over the course of a weeklong entry. The proposed flat plate model will be constructed of stainless steel with geometry consisting of a10-inch × 30-inch upper surface and a 2-inch thickness. The model will be designed to support multiple leading-edge inserts in order to examine blunt, round, and sharp leading edges at Mach 10. Adjustments will be made to manage boundary layer thickness as well as the strength and size of the shock interaction region for each test. Measurements and diagnostics will be performed though high-speed Schlieren, on-body high-speed pressure transducers, IR thermography, and oil flow visualization. Hypersonic vehicle applications have and will continue to emerge at the forefront of aerospace. The NASA-UTSA-UTSI team realizes the value of characterizing SWBLI, XSWBLI, and SWTBLI behaviors well beyond single-digit hypersonic Mach numbers. As hypersonic vehicle speed capabilities continue to increase, measurement and diagnostic methods for Mach numbers of 10 and beyond will provide the foundation for a firm understanding of flow field behavior which will directly influence the advancement of technologies towards the design and manufacturing of high-speed aerodynamic surfaces, controls, thermal protection systems, acoustic treatments, and structural components. The use of non-intrusive and optical diagnostic methods in such experimentation is pivotal in developing the visualization and empirical data necessary to advance the aforementioned technology areas.

Shockwave/Boundary-Layer Interactions↗

KELT-25 b and KELT-26 b: A Hot Jupiter and a Substellar Companion Transiting Young A Stars Observed by TESS

We present the discoveries of KELT-25 b (TIC 65412605, TOI-626.01) and KELT-26 b (TIC 160708862, TOI-1337.01), two transiting companions orbiting relatively bright, early A stars. The transit signals were initially detected by the KELT survey and subsequently confirmed by Transiting Exoplanet Survey Satellite (TESS) photometry. KELT-25 b is on a 4.40 day orbit around the V=9.66 star CD-24 5016(=-+T8280eff180440K,Må=-+2.180.110.12Me), while KELT-26 b is on a 3.34 day orbit around the V=9.95 star HD 134004 (Teff=-+8640240500K,Må=-+1.930.160.14Me), which is likely an Am star. We have confirmed the substellar nature of both companions through detailed characterization of each system using ground-based and TESS photometry, radial velocity measurements, Doppler tomography, and high-resolution imaging. For KELT-25, we determine a companion radius of RP=-+1.640.0430.039RJ and a 3σupper limit on the companion’s mass of64MJ. For KELT-26 b, we infer a planetary mass and radius of MP=-+1.410.510.43MJ and RP=-+1.940.0580.060RJ. From Doppler tomographic observations, we find KELT-26 b to reside in a highly misaligned orbit. This conclusion is weakly corroborated by a subtle asymmetry in the transit light curve from the TESS data. KELT-25 b appears to be in a well-aligned, prograde orbit, and the system is likely a member of the cluster Theia 449.

Exoplanet astronomy↗