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At least 37 records · Page 2

Effects of Atwood and Reynolds numbers on the evolution of buoyancy-driven homogeneous variable-density turbulence

The evolution of buoyancy-driven homogeneous variable-density turbulence (HVDT) at Atwood numbers up to 0.75 and large Reynolds numbers is studied by using high-resolution direct numerical simulations. To help understand the highly non-equilibrium nature of buoyancy-driven HVDT, the flow evolution is divided into four different regimes based on the behaviour of turbulent kinetic energy derivatives. The results show that each regime has a unique type of dependence on both Atwood and Reynolds numbers. It is found that the local statistics of the flow based on the flow composition are more sensitive to Atwood and Reynolds numbers compared to those based on the entire flow. It is also observed that, at higher Atwood numbers, different flow features reach their asymptotic Reynolds-number behaviour at different times. The energy spectrum defined based on the Favre fluctuations momentum has less large-scale contamination from viscous effects for variable-density flows with constant properties, compared to other forms used previously. The evolution of the energy spectrum highlights distinct dynamical features of the four flow regimes. Thus, the slope of the energy spectrum at intermediate to large scales evolves from -7/3 to -1 , as a function of the production-to-dissipation ratio. The classical Kolmogorov spectrum emerges at intermediate to high scales at the highest Reynolds numbers examined, after the turbulence starts to decay. Finally, the similarities and differences between buoyancy-driven HVDT and the more conventional stationary turbulence are discussed and new strategies and tools for analysis are proposed.

42 ENGINEERING↗

Sum of oscillator-strength moments and asymptotic behaviour of thermally induced broadening and shift of energy levels of Rydberg atom circular states

Based on the rules for summing oscillator-strength moments, we derive analytical expressions for environmentally (thermally) induced energy-level shifts and broadenings of circular Rydberg states with maximum orbital (l) and magnetic (m) quantum numbers, l = |m| = n – 1. The formulae for the energy of interaction with blackbody radiation are presented in the form of series expansion in even powers of the small parameter η = Z{sup 2}/(n{sup 3}k{sub B}T) ≪ 1 in the region of high temperatures T and principal quantum numbers n (Z is the charge of the residual ion). The expression for the thermally induced width contains a negative temperature-independent term coinciding in absolute value with the spontaneous width, so that the temperature-independent term is absent in the expression for the sum of the spontaneous and thermally induced widths. A similar expansion in powers of η for the thermally induced shift also contains a temperature-independent term proportional to 1/n{sup 6}. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Chemical control of competing electron transfer pathways in iron tetracyano-polypyridyl photosensitizers

Photoinduced intramolecular electron transfer dynamics following metal-to-ligand charge-transfer (MLCT) excitation of [Fe(CN) 4 (2,2'-bipyridine)] 2- (1), [Fe(CN) 4 (2,3-bis(2-pyridyl)pyrazine)] 2- (2) and [Fe(CN) 4 (2,2'-bipyrimidine)] 2- (3) were investigated in various solvents with static and time-resolved UV-Visible absorption spectroscopy and Fe 2p3d resonant inelastic X-ray scattering (RIXS). This series of polypyridyl ligands, combined with the strong solvatochromism of the complexes, enables the 1 MLCT vertical energy to be varied from 1.64 eV to 2.64 eV and the 3 MLCT lifetime to range from 180 fs to 67 ps. The 3 MLCT lifetimes in 1 and 2 decrease exponentially as the MLCT energy increases, consistent with electron transfer to the lowest energy triplet metal-centred ( 3 MC) excited state, as established by the Tanabe–Sugano analysis of the Fe 2p3d RIXS data. In contrast, the 3 MLCT lifetime in 3 changes non-monotonically with MLCT energy, exhibiting a maximum. This qualitatively distinct behaviour results from a competing 3 MLCT → ground state (GS) electron transfer pathway that exhibits energy gap law behaviour. The 3 MLCT → GS pathway involves nuclear tunnelling for the high-frequency polypyridyl breathing mode (hν = 1530 cm -1 ), which is most displaced for complex 3, making this pathway significantly more efficient. Our study demonstrates that the excited state relaxation mechanism of Fe polypyridyl photosensitizers can be readily tuned by ligand and solvent environment. Furthermore, our study reveals that extending charge transfer lifetimes requires control of the relative energies of the 3 MLCT and the 3 MC states and suppression of the intramolecular distortion of the acceptor ligand in the 3 MLCT excited state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Achieving extraordinary thermal stability of salt hydrate eutectic composites by amending crystallization behaviour with thickener

Commercial thermal energy storage (TES) systems necessitate reliable thermal performance throughout their operational lifetime. Repeated volume changes of the phase change materials (PCMs) during thermal cycling disengages thermal contacts between the conductive fillers like expanded graphite (EG) in TES composites, causing unstable thermal conductivity (k) that fades with cycling. Our in-operando crystallization studies on eutectic PCM made of zinc nitrate hexahydrate (ZNH) and KNO 3 revealed that the thermal stability of PCM composites can be considerably degraded by the formation of large and sharp-cornered PCM crystals during the freezing cycle. While the crystals can push EG particles, disengaging thermal contacts between them, we have newly discovered that carboxymethyl cellulose (CMC) can be used to retain the thermal contacts by forming networks of smaller PCM crystals. Furthermore, the scalable synthesis methodology of EG/ZNH eutectic composites was introduced. Here, in this study, EG particles were strongly connected into a matrix via a stable, corrosion resistant polydimethylsiloxane (PDMS) binder, stabilizing thermal networks and thereby maintaining k up to 1000 melt/freeze cycles. The thermal conductivity of our 25 vol% EG sample (13.3 W m -1 K -1 ) is more than 48% higher than other salt hydrate eutectic composites reported in the literature. We expect this study to provide insights on cooperative interaction between different components of TES systems (PCM, filler, thickener, binder) for exceptionally robust thermal properties.

36 MATERIALS SCIENCE↗

Asymptotic coefficients of the attached-eddy model derived from an adiabatic atmosphere

The attached-eddy model (AEM) predicts that the mean streamwise velocity and streamwise velocity variance profiles follow a logarithmic shape, while the vertical velocity variance remains invariant with height in the overlap region of high Reynolds number wall-bounded turbulent flows. Moreover, the AEM coefficients are presumed to attain asymptotically constant values at very high Reynolds numbers. Here, the AEM predictions are examined using sonic anemometer measurements in the near-neutral atmospheric surface layer, with a focus on the logarithmic behaviour of the streamwise velocity variance. Utilizing an extensive 210-day dataset collected from a 62 m meteorological tower located in the Eastern Snake River Plain, Idaho, USA, the inertial sublayer is first identified by analysing the measured momentum flux and mean velocity profiles. The logarithmic behaviour of the streamwise velocity variance and the associated ‘−1’ scaling of the streamwise velocity energy spectra are then investigated. The findings indicate that the Townsend–Perry coefficient (A 1 ) is influenced by mild non-stationarity that manifests itself as a Reynolds number dependence. After excluding non-stationary runs, and requiring the bulk Reynolds number defined using the atmospheric boundary layer height to be larger than 4 × 10 7 , the inferred A 1 converges to values ranging between 1 and 1.25, consistent with laboratory experiments. Furthermore, nine benchmark cases selected through a restrictive quality control reveal a close relation between the ‘−1’ scaling in the streamwise velocity energy spectrum and the logarithmic behaviour of streamwise velocity variance. However, additional data are required to determine whether the plateau value of the pre-multiplied streamwise velocity energy spectrum is identical to A 1 .

atmospheric flows↗

Electron energy distributions in the extended gas nebulae associated with high-z AGN: Maxwell–Boltzmann versus κ distributions

ABSTRACT Emission line observations together with photoionization models provide important information about the ionization mechanisms, densities, temperatures, and metallicities in active galactic nuclei (AGN)-ionized gas. Photoionization models usually assume Maxwell–Boltzmann (M–B) electron energy distributions (EED), but it has been suggested that using κ distributions may be more appropriate and could potentially solve the discrepancies in temperatures and abundances found in HII regions and planetary nebulae. We consider the impact of the presence of κ distributions in photoionized nebulae associated with AGN and study how this might affect spectral modelling and abundance analyses for such regions. Using the photoionization code MAPPINGS 1e, we compute models adopting M–B and κ distributions of electron energies and compare the behaviour of emission line ratios for different values of κ, gas metallicity, density, ionization parameter, and SED slope. We find that the choice of EED can have a large impact on some UV and optical emission lines emitted by photoionized nebulae associated with AGN, and that the impact of adopting a κ distribution is strongly dependent on gas metallicity and ionization parameter. We compile a sample of line ratios for 143 type 2 AGN and compare our models against the observed line ratios. We find that for 98 objects, κ distributions provide a better fit to the observed line ratios than M–B distributions. In addition, we find that adopting κ-distributed electron energies results in significant changes in the inferred gas metallicity and ionization parameter in a significant fraction of objects.

Morais, S. G. (ORCID:0000000200927813)↗

Distinguishing localization from chaos: Challenges in finite-size systems

Highlights: • Provides an overview of the current understanding of the many-body localization phase transition. • Discusses the subtleties of finite-size scaling near this transition • Assesses the implications of these subtleties for numerical studies of spin chains. • Explores scaling of diagnostics in models with known localization transitions. • Presents suggestions for future numerical work. We re-examine attempts to study the many-body localization transition using measures that are physically natural on the ergodic/quantum chaotic regime of the phase diagram. Using simple scaling arguments and an analysis of various models for which rigorous results are available, we find that these measures can be particularly adversely affected by the strong finite-size effects observed in nearly all numerical studies of many-body localization. This severely impacts their utility in probing the transition and the localized phase. In light of this analysis, we discuss a recent study (Šuntajs et al., 2020) of the behaviour of the Thouless energy and level repulsion in disordered spin chains, and its implications for the question of whether MBL is a true phase of matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hidden delays of climate mitigation benefits in the race for electric vehicle deployment

Although battery electric vehicles (BEVs) are climate-friendly alternatives to internal combustion engine vehicles (ICEVs), an important but often ignored fact is that the climate mitigation benefits of BEVs are usually delayed. The manufacture of BEVs is more carbon-intensive than that of ICEVs, leaving a greenhouse gas (GHG) debt to be paid back in the future use phase. Here we analyze millions of vehicle data from the Chinese market and show that the GHG break-even time (GBET) of China’s BEVs ranges from zero (i.e., the production year) to over 11 years, with an average of 4.5 years. 8% of China’s BEVs produced and sold between 2016 and 2018 cannot pay back their GHG debt within the eight-year battery warranty. We suggest enhancing the share of BEVs reaching the GBET by promoting the effective substitution of BEVs for ICEVs instead of the single-minded pursuit of speeding up the BEV deployment race.

33 ADVANCED PROPULSION SYSTEMS↗

A Global Building Occupant Behavior Database

This paper introduces a database of 34 field-measured building occupant behavior datasets collected from 15 countries and 39 institutions across 10 climatic zones covering various building types in both commercial and residential sectors. This is a comprehensive global database about building occupant behavior. The database includes occupancy patterns (i.e., presence and people count) and occupant behaviors (i.e., interactions with devices, equipment, and technical systems in buildings). Brick schema models were developed to represent sensor and room metadata information. The database is publicly available, and a website was created for the public to access, query, and download specific datasets or the whole database interactively. The database can help to advance the knowledge and understanding of realistic occupancy patterns and human-building interactions with building systems (e.g., light switching, set-point changes on thermostats, fans on/off, etc.) and envelopes (e.g., window opening/closing). With these more realistic inputs of occupants’ schedules and their interactions with buildings and systems, building designers, energy modelers, and consultants can improve the accuracy of building energy simulation and building load forecasting.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Behaviourally-Informed Peer Referral Programmes can Increase the Reach of Low-Income Energy Policies

Low-income solar adopters are more likely to refer others to a fully subsidized solar programme when referral rewards are combined with an appeal to reciprocity and a simplified referral process, leading to five times as many solar contracts as when referral rewards are used alone. The findings highlight behavioural science strategies that administrators of low-income energy assistance programmes can use to cost-effectively accelerate programme uptake.

ENERGY PLANNING, POLICY, AND ECONOMY,SOLAR ENERGY↗

A multisensory approach to understanding bat responses to wind energy developments

Abstract Millions of bats are killed at wind energy facilities worldwide, yet the behavioural mechanisms underlying why bats are vulnerable to wind turbines remain unclear. Anthropogenic stimuli that alter perceptions of the environment, known as sensory pollution, could create ecological traps and cause bat mortality at wind farms. We review the sensory abilities of bats to evaluate potential stimuli associated with wind farms and examine the role of spatial scale on the perceptual mechanisms of sensory pollutants associated with wind energy facilities. Audition, vision, somatosensation and olfaction are sensory modalities that bats use to perceive their environment, including wind farms and turbine structures, but they will not all be useful at the same spatial scales. Bats most likely use vision to perceive wind farms on the landscape, and obstruction lighting may be the first sensory cue to attract bats to wind farms from kilometres away. Research that assesses the risks posed by specific sensory pollutants, when conducted at the appropriate scale, can help identify solutions to reduce bat mortality, such as determining the attractiveness of obstruction lighting to bats at a landscape scale.

Jonasson, Kristin A.↗

Simultaneous measurements of kinetic and scalar energy spectrum time evolution in the Richtmyer–Meshkov instability upon reshock

The Richtmyer–Meshkov instability (Richtmyer, Commun. Pure Appl. Maths , vol. 13, issue 2, 1960, pp. 297–319; Meshkov, Fluid Dyn. , vol. 4, issue 5, 1972, pp. 101–104) of a twice-shocked gas interface is studied using both high spatial resolution single-shot (SS) and lower spatial resolution, time-resolved, high-speed (HS) simultaneous planar laser-induced fluorescence and particle image velocimetry in the Wisconsin Shock Tube Laboratory's vertical shock tube. The initial condition (IC) is a shear layer with broadband diffuse perturbations at the interface between a helium–acetone mixture and argon. This IC is accelerated by a shock of nominal strength Mach number $M = 1.75$ , and then accelerated again by the transmitted shock that reflects off the end wall of the tube. An ensemble of experiments is analysed after reshock while the interface mixing width grows linearly with time. The kinetic and scalar energy spectra and the terms of their evolution equation are calculated and compared between SS and HS experiments. The inertial range scaling of the scalar power spectrum is found to follow Gibson's relation (Gibson, Phys. Fluids , vol. 11, issue 11, 1968, pp. 2316–2327) as a function of Schmidt number when the effective turbulent Schmidt number is used in place of the material Schmidt number that controls equilibrium scaling. Further, the spatially integrated scalar flux follows similar behaviour observed for the kinetic energy in large eddy simulation studies by Zeng et al. ( Phys. Fluids , vol. 30, issue 6, 2018, 064106) while the spatially varying scalar flux exhibits back scatter along the centre of the mixing layer and forward energy transfer in the spike and bubble regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effect of moderate temperatures on compressive strength of ultra-high-performance concrete: A microstructural analysis

Highlights: • All coarse aggregates and steel fibres were surrounded by the binder. • X-ray diffraction is useful for explaining the increase in compressive strength with increasing temperature. • Rosenhahnite and/or quartz Dauphiné-twinned phases improved the compressive strength. • Polypropylene fibres prevented spalling and preserved the compressive strength. • Concrete with steel and polypropylene fibres did not exhibit spalling at 300 °C. Concrete with two types of steel fibres and a polypropylene fibre prevented spalling and preserved the compressive strength at 300 °C, which makes these concretes suitable for long-term applications up to 300 °C, such as for steam collectors or thermal energy storage systems. The compressive strength behaviour of three types of ultra-high-performance fibre-reinforced concrete manufactured with the same matrix was investigated. For this purpose, a complete characterisation of all the raw materials and the three types of fibres used was performed. The morphology of all concrete mixtures at room temperature was analysed using scanning electron microscopy–energy-dispersive X-ray spectroscopy. From the results, it was ascertained that the steel fibres and coarse siliceous aggregates were not in contact (being separated by ≥3.41 μm) and were surrounded by the binder (of ≥1 μm in thickness) for all the mixtures studied. Rosenhahnite and/or quartz Dauphiné-twinned phases improved the compressive strength (as determined by X-ray diffraction).

36 MATERIALS SCIENCE↗

Visualizing interfacial collective reaction behaviour of Li–S batteries

Benefiting from high energy density (2,600 Wh kg -1 )) and low cost, lithium-sulfur (Li-S) batteries are considered promising candidates for advanced energy-storage systems. Despite tremendous efforts in suppressing the long-standing shuttle effect of lithium polysulfides, understanding of the interfacial reactions of lithium polysulfides at the nanoscale remains elusive. This is mainly because of the limitations of in situ characterization tools in tracing the liquid-solid conversion of unstable lithium polysulfides at high temporal-spatial resolution. There is an urgent need to understand the coupled phenomena inside Li-S batteries, specifically, the dynamic distribution, aggregation, deposition and dissolution of lithium polysulfides. Here, by using in situ liquid-cell electrochemical transmission electron microscopy, we directly visualized the transformation of lithium polysulfides over electrode surfaces at the atomic scale. Notably, an unexpected gathering-induced collective charge transfer of lithium polysulfides was captured on the nanocluster active-centre-immobilized surface. It further induced an instantaneous deposition of nonequilibrium Li2S nanocrystals from the dense liquid phase of lithium polysulfides. Without mediation of active centres, the reactions followed a classical single-molecule pathway, lithium polysulfides transforming into Li 2 S 2 and Li 2 S step by step. Molecular dynamics simulations indicated that the long-range electrostatic interaction between active centres and lithium polysulfides promoted the formation of a dense phase consisting of Li + and S n 2- (2 < n ≤ 6), and the collective charge transfer in the dense phase was further verified by ab initio molecular dynamics simulations. Finally, the collective interfacial reaction pathway unveils a new transformation mechanism and deepens the fundamental understanding of Li-S batteries.

25 ENERGY STORAGE↗

The oscillatory anisotropy in the spatially flat cosmological models

Highlights: • Relations among asymptotic anisotropy and matter content. • A new scheme for obtaining physically motivated exact solutions. • The process of isotropization/anisotropization in cosmology. • The conversion among the anisotropy and the energy density into one another. In this manuscript, we investigate the oscillatory behaviour of the anisotropy in the diagonal Bianchi-I spacetimes. Our starting point is a simplification of Einstein’s equations using only observable or physical variables. As a consequence, we are able to: (a) Prove general results concerning the existence of oscillations of the anisotropy in the primordial and the late-time universe. For instance, in the expanding scenario, we show that a past weakly mixmaster behaviour (oscillations as we approach the Kasner solutions) might appear even with no violation of the usual energy conditions, while in the future, the pulsation (oscillations around isotropic solutions) seems to be most favoured; (b) Determine a large scheme for deriving classes of physically motivated exact solutions, and we give some (including the general barotropic perfect fluid and the magnetic one); (c) Understand the physical conditions for the occurrence of the isotropization or anisotropization during the cosmological evolution; (d) Understand how anisotropy and energy density are converted one into another. In particular, we call attention to the presence of a residue in the energy density in a late-time isotropic universe coming from its past anisotropic behaviour.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Assessment of the driving factors of CO 2 mitigation costs of household biogas systems in China: A LMDI decomposition with cost analysis model

China has been placing a substantial focus on biogas for reducing energy consumption and carbon dioxide (CO 2 ) emissions. The operation mode of biogas systems may make the CO 2 reduction target over-optimistic. There is limited research to investigate the influential factors that may be causing the gap between the actual and theoretical CO 2 reduction costs of biogas systems in China. In this research, by using field survey data of 209 biogas users and 489 non-biogas users from 19 villages in 2015, the gap between actual and theoretical unit CO 2 reduction cost is quantified at approximately 156 USD/t CO 2 . By employing the Logarithmic Mean Divisia Index I (LMDI) model, it is found that both the cost effect (48%) and the reduction effect (52%) contribute to the unit CO 2 reduction cost gap. Furthermore, four influential factors–household labor, accessibility to the energy resource, acceptance of biogas technology, and subsidy–significantly narrow the gap between actual and theoretical CO 2 reduction costs, while the levelized subsidy contributes to widening the gap. On average, biogas systems should be operated for at least four years and the substitution rate should be more than 67% in order to keep the gap between actual and theoretical CO 2 reduction costs under 50%.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Unsupervised discovery of nonlinear plasma physics using differentiable kinetic simulations

Plasma supports collective modes and particle–wave interactions that lead to complex behaviour in, for example, inertial fusion energy applications. While plasma can sometimes be modelled as a charged fluid, a kinetic description is often crucial for studying nonlinear effects in the higher-dimensional momentum–position phase space that describes the full complexity of the plasma dynamics. We create a differentiable solver for the three-dimensional partial-differential equation describing the plasma kinetics and introduce a domain-specific objective function. Using this framework, we perform gradient-based optimization of neural networks that provide forcing function parameters to the differentiable solver given a set of initial conditions. We apply this to an inertial-fusion-relevant configuration and find that the optimization process exploits a novel physical effect.

plasma nonlinear phenomena↗

Synthetic-domain computing and neural networks using lithium niobate integrated nonlinear phononics

Analogue computing uses the physical behaviours of devices to provide energy-efficient arithmetic operations. However, scaling up analogue computing platforms by simply increasing the number of devices leads to challenges such as device-to-device variation. Here, in this study, we report scalable analogue computing and neural networks in the synthetic frequency domain using an integrated nonlinear phononic platform on lithium niobate. This synthetic-domain computing is robust to device variations, as vectors and matrices are concurrently encoded at different frequencies within a single device, achieving a high throughput per area. Leveraging inherent nonlinearities, our device-aware neural network can perform a four-class classification task with an accuracy of 98.2%. The nonlinear phononic computing hardware also maintains consistent performance over a wide operational temperature range (characterized up to 192 °C). Our synthetic-domain computing combines single-device parallelism, inherent nonlinearity and environmental stability, and could be of use in edge computing applications in which power efficiency and environmental resilience are crucial.

Ji, Jun [Virginia Polytechnic Inst. and State Univ↗