Energy Distribution Research Articles

GPCR Signaling: A Study of the Interplay Between Structure, Energy, and Function.

G protein-coupled receptors (GPCRs) exemplify sophisticated allosteric communication, transducing extracellular signals through ligand-induced structural rearrangements that resonate through the molecular scaffold. Despite extensive study, the biophysical underpinnings of how conformational changes spread remain unclear. This work employs a novel physics-based framework to characterize the role of energy dissipation in directing intramolecular signaling pathways. By modeling each residue as a network of coupled oscillators, we generate a localization landscape depicting the vibrational energy distribution throughout the protein scaffold. Quantifying directional energy flux between residues reveals distinct pathways for energy and information transfer, illuminating sequences of allosteric communication. Our analysis of CB1 and CCR5 crystal structures unveils an anisotropic pattern of energy dissipation aligning with key functional dynamics, such as activation-related conformational changes. These anisotropic patterns of vibrational energy flow constitute pre-configured channels for allosteric signaling. Elucidating the relationship between structural topology and energy dissipation patterns provides key insights into the thermodynamic drivers of conformational signaling. This methodology significantly advances our mechanistic understanding of allostery in GPCRs and presents a broadly applicable approach for rationally dissecting allosteric communication pathways, with potential implications for structure-based drug design targeting these critical receptors.

An all-sky catalogue of stellar reddening values

When observing astronomical objects, we have to deal with extinction (i.e. the absorption and scattering of the emitted radiation by dust and gas between the source and the observer). Interstellar extinction depends on the location of the object and the wavelength. The different extinction laws describing these effects are difficult to estimate for a small sample of stars. Many sophisticated and automatic methods have recently been developed for estimating astrophysical parameters (age and metallicity, for example) depending on the reddening, which is normally treated as a free parameter within the corresponding estimations. However, many reddening values for stars have been published over the last few decades, most of which include observations in the ultraviolet, which are essential for a good estimation but are essentially no longer taken into account. We searched the literature through the end of 2022 for published independent reddening values of stellar objects based on various methods that exclude estimates from reddening maps. In addition, we present new reddening estimates based on the classical photometric indices in the Geneva, Johnson, and Str \"o mgren-Crawford systems. These are based on well-established and reliable calibrations. After a careful identification procedure and quality assessment of the data, we calculated the mean reddening values of 157\,631 individual available measurements for 97\,826 objects. We compared our results with the ones from recent automatic pipeline values, including those from the Gaia consortium. In addition, we chose star cluster members to compare their mean values with estimates for the corresponding aggregates. Within the different references, we find several statistically significant offsets and trends and discuss possible explanations for them. Our new catalogue can serve as a starting point for calibrating and testing automatic tools such as isochrone and spectral energy distribution fitting. Our sample covers the whole sky, including the Galactic field, star clusters, and Magellanic Clouds, and so can be used for a variety of astrophysical studies.

Insights from Optical Fe ii Emission in Quasars

The complexity of the energy levels in Fe ii has made it difficult to theoretically interpret its observational emission spectrum. However, addressing this challenge could provide valuable insights into the main sequence of QSOs using “eigenvector 1” and the chemical evolution of the Universe. Although the templates based on I Zw 1 are widely used, their universality remains unexplained. To address this, we utilized the CLOUDY spectral synthesis code to generate theoretical blends of Fe ii optical emission near the Hβ region. Our results indicate that the optimal cloud density and photon flux align with previous studies at gas density 1011 cm−3 and photon flux 1020.5 cm−2 s−1. We discovered a broad parameter region that fits the data well, encompassing a diverse range of densities and photon fluxes. This helps to explain the general applicability of optical templates. Additionally, we investigated the effects of different spectral energy distributions (SEDs), Eddington ratios, turbulence, and cloud column densities and found that they provided a sufficiently broad range for typical emitting clouds. We found different SEDs had a negligible impact on the template shape, further expanding the usability of empirical templates. However, they significantly affected the absolute intensity of Fe ii emission, consistent with previous research. Furthermore, we determined that a turbulence of approximately 100 km s−1 is necessary to produce sufficiently strong optical Fe ii, and either a column density greater than 1024 cm−2, which is typical for Fe ii UV emission, or an abundance higher than solar is preferred.

Total excitation energy distribution for neutron-induced fission and photo-fission of uranium isotopes

The fission fragment total excitation energy, TXE(A), is investigated for neutron-induced fission of uranium isotopes using three different methods. Different methods for calculations of the TXE(A) produced by the decay of low excited systems are analyzed and their results are compared with the available TXE values. The calculated TXE values have been compared with the results of other studies for the neutron induced fission of 233U, 235U as well as the photo-fission of 238U. The scission point method for evaluating TXE has been modified by comparing the available and calculated results. TXE(A) is evaluated for other uranium isotopes using three methods. It is found that TXE values in the neutron induced fission of 233U, 235U and the photo-fission of 238U are greater than the calculated TXE values of other uranium isotopes. The TXE values of light uranium isotopes decrease with increasing their mass numbers, while the TXE values of heavy uranium isotopes increase as their mass numbers increase. Also, the calculated TXE values for all isotopes increase sharply near the symmetric region, which is due to the formation of unstable fission fragment. On the other hand, a slight increase in neutron multiplicity and TXE values can be observed in heavy fission fragments (Ah>155), which could be due to the neutron excess. However, the sharp increase in neutron multiplicity and TXE values in some studies for the heavy fission fragments (Ah>155) is due to a missing correction in the data analysis.

Hysteresis in radio frequency capacitively coupled CF4 plasmas

Based on experiments and simulations, various plasma parameters are found to undergo a hysteresis as a function of the driving voltage amplitude in capacitively coupled CF4 discharges. Phase Resolved Optical Emission Spectroscopy reveals that the discharge operates in a hybrid combination of the drift-ambipolar and α-mode at low voltage. In this mode, the electric field and mean electron energy are high in the electronegative plasma bulk region. As the cross section for electron attachment is appreciable only at high electron energies, this mode results in strong negative ion production and keeps the electron density low as well as the mode of plasma operation stable, when the voltage is increased moderately. Increasing the driving voltage amplitude further ultimately induces a mode transition into a pure α-mode, once the electron density increases strongly. Decreasing the voltage again results in a reverse mode transition at a lower voltage compared to the previous mode transition, because the electron density is now initially high in the bulk and, thus, the bulk electric field and mean electron energy are low resulting in inefficient generation of negative ions via electron attachment. This keeps the electron density high even at lower driving voltages. This effect leads to the emergence of two steady states of plasma operation within a certain voltage range. The different electron energy distribution functions in these two states result in markedly different generation and density profiles of F atoms, with higher values occurring in the increasing voltage branch of the hysteresis. The ion flux and mean energy at the electrodes also differ. The voltage range, where the hysteresis occurs, is affected by the ion induced secondary electron coefficient (γ). A larger value of γ results in a shift of the hysteresis voltage range towards lower values.

Dynamic multicolor electrochromic skin in high-brightness flexible WO3/Au asymmetric Fabry–Perot nanocavity fabricated on Nylon 66 porous substrate

Recently, the Fabry–Perot (F–P) cavity electrochromic devices, which are constructed by combining nano-size inorganic electrochromic material WO3 and reflective metal layers, have attracted considerable attention due to their potentials in the fields of dynamic multicolor displays and active camouflage. However, in the few studies that have been reported, the peak reflectance of flexible F–P cavity multicolor electrochromic devices in the visible wavelength band is generally lower than 30 %, which limits their reflective display and camouflage effects in high-brightness environments. Thus, we have combined multicolor reflective electrochromic electrodes in WO3/Au asymmetric F–P nanocavity constructed by magnetron sputtering on a Nylon 66 porous substrate with a highly transparent UV-cured gel electrolyte and a PET plastic sealing procedure. As a result, a flexible and dynamic multicolor electrochromic skin with high reflectance (Rmax＞50 %) and excellent flexibility (bending radius of 4 mm) has been fabricated. The WO3 electrochromic layer at the top works as the dynamic dielectric layer in the broadband absorption Fabry–Perot cavity, and the inert metal Au layer at the bottom works as the reflective layer. The WO3/Au asymmetric F–P cavity can acutely capture the variation in optical constants of WO3 due to the thickness change and electric-driven effects. This cavity facilitates the selective reflection and absorption of the energy distribution of the spectrum after the induced interferometric resonance. As a result, the cavity exhibits a rich array of structural colors, including ocher, taupe, yellow, orange, green, and violet. The electrochromic skin exhibits a fast switching time and maintains 99.43 % of the optical modulation amplitude (ΔR) after 110 coloring/bleaching cycles. It provides a potential option in the field of flexible high-brightness reflective displays and dynamic camouflage in the future.

Signatures of Active Galactic Nucleus Feedback Modes: A Green Bean Galaxy with 150 kpc Jet-induced Radio Emission

Jetted active galactic nuclei (AGN) hosting extended photoionized nebulae provide us with a unique view of the timescales associated with AGN activity. Here, we present a new green bean galaxy at z = 0.304458 ± 0.000007 with large-scale jet-induced radio emission. The spectral energy distributions of the radio components show steep spectral indices (α = −0.85 to −0.92 for the extended regions, and α = −1.02 for the faint radio core), and spectral age modeling of the extended radio emission indicates that the lobes are >6 Myr old. It is unclear whether the jet is active, or is a remnant with an off-time of 2–3 Myr. Several detached clouds lie around the host galaxy up to 37.8 kpc away from the nucleus, and their ionization profile indicates a decline (∼2 dex) in the AGN ionizing photon production over the past ∼0.15 Myr. Furthermore, we measure a blueshift for one of the clouds that is spatially coincident with the path of the radio jet. The cloud is likely illuminated by the photoionizing AGN, and potentially underwent an interaction with the relativistic jet. Our multiwavelength analysis suggests that RGB1 was in a phase of jet production prior to the radiatively efficient accretion phase traced by the detached cloud emission. It is unclear whether RGB1 transitioned into a low-excitation radio galaxy or an inactive galaxy over the past ∼0.15 Myr, or whether the extended radio and optical emission trace distinct accretion phases that occurred in succession.

Modeling Blazar Broadband Emission with Convolutional Neural Networks. II. External Compton Model

In the context of modeling spectral energy distributions (SEDs) for blazars, we extend the method that uses a convolutional neural network (CNN) to include external inverse Compton processes. The model assumes that relativistic electrons within the emitting region can interact with and up-scatter external photons originating from the accretion disk, the broad-line region, and the torus, to produce the observed high-energy emission. We trained the CNN on a numerical model that accounts for the injection of electrons, their self-consistent cooling, and pair creation-annihilation processes, considering both internal and all external photon fields. Despite the larger number of parameters compared to the synchrotron self-Compton model and the greater diversity in spectral shapes, the CNN enables an accurate computation of the SED for a specified set of parameters. The performance of the CNN is demonstrated by fitting the SED of two flat-spectrum radio quasars, namely 3C 454.3 and CTA 102, and obtaining their parameter posterior distributions. For the first source, the available data in the low-energy band allowed us to constrain the minimum Lorentz factor of the electrons, γmin , while for the second source, due to the lack of these data, γmin=102 was set. We used the obtained parameters to investigate the energetics of the system. The model developed here, along with one from Bégué et al., enables self-consistent, in-depth modeling of blazar broadband emissions within a leptonic scenario.

Kilonova Spectral Inverse Modelling with Simulation-based Inference: An Amortized Neural Posterior Estimation Analysis

Kilonovae represent a category of astrophysical transients, identifiable as the electromagnetic (EM) counterparts associated with the coalescence events of binary systems comprising neutron stars and neutron star–black hole pairs. They act as probes for heavy-element nucleosynthesis in astrophysical environments. These studies rely on an inference of the physical parameters (e.g., ejecta mass, velocity, composition) that describe kilonovae-based on EM observations. This is a complex inverse problem typically addressed with sampling-based methods such as Markov Chain Monte Carlo or nested sampling algorithms. However, repeated inferences can be computationally expensive, due to the sequential nature of these methods. This poses a significant challenge to ensuring the reliability and statistical validity of the posterior approximations and, thus, the inferred kilonova parameters themselves. We present a novel approach: simulation-based inference using simulations produced by KilonovaNet. Our method employs an ensemble of amortized neural posterior estimation (ANPE) with an embedding network to directly predict posterior distributions from simulated spectral energy distributions. We take advantage of the quasi-instantaneous inference time of ANPE to demonstrate the reliability of our posterior approximations using diagnostics tools, including coverage diagnostic and posterior predictive checks. We further test our model with real observations from AT 2017gfo, the only kilonova with multimessenger data, demonstrating agreement with previous likelihood-based methods while reducing inference time down to a few seconds. The inference results produced by ANPE appear to be conservative and reliable, paving the way for testable and more efficient kilonova parameter inference.

Radiation induced athermal diffusivity in uranium mononitride

Uranium mononitride (UN) is one of the ceramic nuclear fuel alternatives to oxide fuel considered for light water reactors and advanced reactor designs. Properties like self- and fission gas diffusivity need to be better understood, given that they influence key fuel performance phenomena such as fission gas swelling and release. In particular, the radiation induced athermal (D3) diffusivity remains challenging to accurately predict and has only been sparsely characterized in UN, despite its importance as it likely governs diffusion at the low temperatures this high-thermal-conductivity fuel form may operate. Molecular Dynamics simulations are used to estimate the mean square displacement induced by a primary knock-on atom (PKA) with a given kinetic energy. These results are combined with the PKA energy distributions obtained from binary collision approximation calculations to obtain the displacement due to a particular fission fragment. Finally, this is combined with experimental fission fragment yields to determine the displacement due to an average fission event and, thus, express the athermal diffusivity as a function of the fission rate density. These results are in excellent agreement with available experimental data. A particular importance is given to the understanding and the quantification of the variability of these results.

Exploring the Archives: A Search for Novae in UVIT Snapshots of M31

Extensive multiwavelength studies of novae have been carried out in our galaxy and in M31 for decades. However, UV studies of extragalactic novae are limited, especially those in quiescence. For the first time, we present a UV catalog of novae in M31 using the archival AstroSat Ultraviolet Imaging Telescope (UVIT) imaging data. We used two image subtraction techniques to retrieve objects located deep into the M31 central region. We have found 42 novae in total in the UVIT images, 15 of which have been detected in multiple filters in the far-ultraviolet (FUV) and near-ultraviolet. The novae detected at quiescence show signatures of accretion disk from their UV spectral energy distributions, whereas those in the outburst phase show signatures of a pseudo-photosphere. A few novae were also detected in multiple epochs. Some show a near-constant FUV magnitude at quiescence, while others caught near the outburst reveal pre-eruption dips in their light curves. We conclude with a discussion on the significance of UV surveys in illuminating theoretical predictions for novae systems, including detecting the elusive early UV flash.

Characterizing the γ-Ray Emission from FR0 Radio Galaxies

FR0 galaxies constitute the most abundant jet population in the local Universe. With their compact jet structure, they are broadband photon emitters and have been proposed as multimessenger sources. Recently, these sources have been detected for the first time in γ rays. Using a revised FR0 catalog, we confirm that the FR0 population as a whole are γ-ray emitters, and we also identify two significant sources. For the first time, we find a correlation between the 5 GHz core radio luminosity and γ-ray luminosity in the 1–800 GeV band, having a 4.8σ statistical significance. This is clear evidence that the jet emission mechanism is similar in nature for FR0s and the well-studied canonical FR (FRI and FRII) radio galaxies. Furthermore, we perform broadband spectral energy distribution modeling for the significantly detected sources as well as the subthreshold source population using a one-zone synchrotron self-Compton model. Within the maximum jet power budget, our modeling shows that the detected γ rays from the jet can be explained as inverse Compton photons. To explain the multiwavelength observations for these galaxies, the modeling results stipulate a low bulk Lorentz factor and a jet composition far from equipartition, with the particle energy density dominating over the magnetic field energy density.

Density Functional Theory and Spectroscopic Analysis of Stigmasterol from Garcinia wightii: Deciphering its Inhibitory Potential against Drug-Resistant Tuberculosis via Insilico Molecular Docking and Molecular Dynamics Simulations

This study investigates the molecular structure and electronic properties of stigmasterol, isolated from Garcinia wightii, using density functional theory (DFT) alongside experimental techniques including FT-IR, FT-Raman, UV–Vis, 1H and 13C NMR spectroscopy. Theoretical predictions are compared with experimental results, facilitated by vibrational energy distribution analysis for unambiguous vibrational wavenumber assignments. Natural bond orbital analyses reveal donor-acceptor bond energies and electron densities, while Fukui functions identify reactive sites susceptible to electrophilic and nucleophilic attacks. Electronic properties are further explored through various analyses, unveiling reactive surface sites. Non-covalent interactions are examined using reduced density gradient analysis. Assessment of absorption, distribution, metabolism, and excretion attributes aids in drug discovery efforts. Molecular docking studies against 20 target proteins for antitubercular screening show a stable glide score of -9.52 kcal/mol for the protein 4FDO (Mycobacterium tuberculosis DprE1 in complex with CT319). Molecular dynamics simulations over 100 ns indicate the stability of the ligand-protein complex, suggesting its potential as an antituberculosis agent. Stigmasterol's structural, vibrational, electronic, and topological properties are thoroughly investigated, revealing its ring skeleton with a flexible isooctyl side chain, adhering to C1 point group symmetry. Steric and stereo electronic interactions play crucial roles in conformation and binding to target proteins. Theoretical and experimental analyses align, confirming the compound's bioactive properties. This comprehensive investigation underscores stigmasterol's potential as a tuberculosis treatment option, providing valuable insights into its structural characteristics and therapeutic possibilities.

An Expanding Accretion Disk and a Warm Disk Wind as Seen in the Spectral Evolution of HBC 722

We present a comprehensive analysis of the post-outburst evolution of the FU Ori object HBC 722 in optical/near-infrared (NIR) photometry and spectroscopy. Using a modified viscous accretion disk model, we fit the outburst epoch spectral energy distribution to determine the physical parameters of the disk, including Ṁacc=10−4.0M⊙ yr−1, R inner = 3.65 R ⊙, i = 79°, and a maximum disk temperature of Tmax=5700 K. We then use a decade of optical/NIR spectra to demonstrate a changing accretion rate drives the visible-range photometric variation, while the NIR shows the outer radius of the active accretion disk expands outward as the outburst progresses. We also identify the major components of the disk system: a plane-parallel disk atmosphere in Keplerian rotation and a two-part warm disk wind that is collimated near the star and wide-angle at larger radii. The wind is traced by classic wind lines, and appears as a narrow, low-velocity, deep absorption component in several atomic lines spanning the visible spectrum and in the CO 2.29 μm band. We compare the wind lines to those computed from wind models for other FU Ori systems and rapidly accreting young stellar disks and find a 4000–6000 K wind can explain the observed line profiles. Fitting the progenitor spectrum, we find M * = 0.2 M ⊙ and Ṁprogenitor=7.8×10−8M⊙yr−1 . Finally, we discuss HBC 722 relative to V960 Mon, another FU Ori object we have previously studied in detail.

Black Hole Mass and Eddington Ratio Distribution of Hot Dust-obscured Galaxies

Hot dust-obscured galaxies (Hot DOGs) are a rare population of hyperluminous infrared galaxies discovered by the Wide-field Infrared Survey Explorer mission. Despite the significant obscuration of the active galactic nucleus (AGN) by dust in these systems, pronounced broad and blueshifted emission lines are often observed. Previous work has shown that eight Hot DOGs, referred to as blue-excess Hot DOGs (BHDs), present a blue excess consistent with type 1 quasar emission in their UV–optical spectral energy distributions (SEDs), which has been shown to originate from the light of the obscured central engine scattered into the line of sight. We present an analysis of the rest-frame optical emission characteristics for 172 Hot DOGs through UV–mid-IR SED modeling and spectroscopic details, with a particular focus on the identification of BHDs. We find that while the optical emission observed in Hot DOGs is in most cases dominated by a young stellar population, 26% of Hot DOGs show a significant enough blue excess emission to be classified as BHDs. Based on their broad C iv and Mg ii lines, we find that the mass of the black hole M BH in a BHD ranges from 108.7 to 1010 M ⊙. When using the same emission lines in regular Hot DOGs, we find the M BH estimates cover the entire range found for BHDs while also extending to somewhat lower values. This agreement may imply that the broad lines in regular Hot DOGs also originate from scattered light from the central engine, just as in BHDs, although a more detailed study would be needed to rule out an outflow-driven nature. Similar to z ∼ 6 quasars, we find that Hot DOGs sit above the local relation between stellar and black hole masses, suggesting either that AGN feedback has not yet significantly suppressed the stellar mass growth in the host galaxies or that they will be outliers of the relation when reaching z = 0.

Optimization and experimental validation of deuterium-tritium neutron monoenergetics for diamond detector testing

Diamond detectors are excellent tools for measuring deuterium-tritium (D-T) neutron energy spectra. It has great potential for application in the field of magnetic confinement fusion. However, the current experimental values of the energy resolution of diamond detectors are much lower than the theoretical estimates. The purpose of this study is to find a method for experimental optimization. For this purpose, the D-T neutron energy distribution of the accelerator is theoretically analyzed and simulated. A method to increase the deuteron energy to obtain a better monoenergetic neutron source is proposed. This strategy was validated experimentally. The energy resolution of diamond for D-T neutrons achieves 1.21%, a Full Width at Half Maximum of 93 keV at 7.65 MeV. It is the highest resolution recorded to date. These results demonstrate the feasibility of the optimization method.

Efficient removal of nitrophenol by magnetic ion exchange resins: Role of nitrophenol functional groups based on characterisation, DFT calculations and site energy distributions

The diverse locations of functional groups on different nitrophenol cause uncertainty concerning the removal efficiency and mechanisms of nitrophenol. Adsorption behavior and mechanisms of nitrophenol pollutants (2-nitrophenol (ONP) and 4-nitrophenol (PNP)) on magnetic ion exchange (MIEX) resin were investigated by a combination method of characterization, DFT calculations, and site energy analysis. The results showed pore filling, hydrophobicity, hydrogen bonding, van der Waals forces, π-π conjugation, ion exchange, and electrostatic attraction were included in the removal mechanisms. Solution pH influenced the adsorption mechanism by inducing electrostatic attraction, hydrogen bonding and ion exchange. DFT calculations found that hydrogen bonding was the dominant action among the removal mechanisms for the nitrophenol existing in the form of a molecular state. But distinguished from the removal of PNP by the interaction of hydrogen bonds (O⋯H-N) between the –NO2 in PNP and the –NH-CO– group in MIEX resin, the ONP was mainly removed by hydrogen bonds (H⋯O-C) between the –OH functional group in ONP and the –COOH functional group in MIEX resin. However, the ionic nitrophenol pollutants were mainly removed through electrostatic attraction and ion exchange. Increasing resin dosage facilitated the removal of nitrophenol. Humic acid demonstrated little effect. Sulfate ions showed the most severe inhibition on the removal of nitrophenol. Equilibrium was achieved after 60 min. The adsorption process was well described using the Sips isotherm. The main rate-limiting step was liquid film diffusion. Site energy analysis found that the affinity of PNP for MIEX resin was higher, and the removal of PNP was more susceptible to temperature compared to ONP. A 1.0 % sodium chloride could effectively regenerate the saturated resin, and the adsorption efficacy did not decrease significantly after four adsorption–desorption cycles. Therefore, MIEX resin has a good potential for the control of nitrophenol in polluted water sources.

Thinking big starting small: identifying considerations for small-scale tidal energy in southwest Nova Scotia

Nova Scotia’s marine renewable energy (MRE) sector can contribute to provincial goals for carbon neutrality. With this, tidal energy has been an interest to industry stakeholders for over two decades, yet general momentum for the industry has shifted. Previous tidal energy projects and recent studies suggest there needs to be a shift in focus towards scalable tidal energy (i.e., small-scale) development in the province. This research explores the considerations of developing tidal energy in Southwest Nova Scotia with an emphasis on small-scale tidal devices. Using a comprehensive literature review and in-depth semi-structured interviews with stakeholders from different sectors of Nova Scotia’s MRE energy industry, key issues and challenges were explored. Results underline four main themes that affect industry potential, which include cost and financing, technology, policy, and energy distribution. These results support a discussion around the value of small-scale technology, regulatory pathways, industry collaboration, and using global best practices to accelerate tidal energy industry goals in Nova Scotia.

Characterization of energy-driven damage mechanism and gas seepage in coal under mining-induced stress conditions

Gas seepage and progressive failure of coal are common energy-driven mining phenomena. A comprehensive understanding of the energy-driving mechanism behind the catastrophic behavior of mining-induced coal is fundamental to innovating the technology of coal and gas co-mining. Thus, this study simulated three typical mining stress evolution process in protective coal-seam mining (PCM), top-coal caving mining (TCM), and non-pillar mining (NM) to investigate the energy evolution and distribution patterns of coal. The results indicate a strong correlation between energy dissipation and gas seepage. By transitioning from PCM and TCM to NM, the peak elastic strain energy of gas-bearing coal increased by 155.92 %, and the ratio of peak dissipative energy decreased from 51 % to 41 %. Under the PCM stress path, gas seepage decreased the energy storage by 13.52 %, whereas the pre-mining pressure relief and enhanced permeability simulation increased in peak dissipation energy by 49.66 %. Using the cumulative dissipative energy as a damage variable reveals that the degree of coal damage evolution under PCM is higher than other mining methods. Based on the energy-driven damage mechanism, a new coal permeability model was established, and its comparison with classical permeability model demonstrated its excellent fitting effectiveness.

Deep learning assisted anode porous transport layer inverse design for proton exchange membrane water electrolysis

Proton exchange membrane water electrolysis cell (PEMEC) offers a clean and promising way for hydrogen production. The spatial internal current density and temperature distribution uniformity significantly determines its reliability and durability, as well as the hydrogen production performance. Here, a non-isothermal 3D computational fluid dynamics (CFD) model for PEMEC with parallel flow fields is employed to investigate the impacts of the heterogeneous porosity distribution within the anode porous transport layer (APTL) on the internal current density and temperature distribution uniformity and energy conversion performance. 800 heterogeneous APTL porosity distributions are applied for CFD calculation, providing dataset for deep learning. The deep operator network (DeepONet) is employed to mapping the heterogeneous APTL porosity distribution to the real physical fields such as temperature, oxygen molar fraction and current density distribution fields. Full-connected neural network is employed to construct the relationship between the heterogeneous APTL porosity distribution to the performance metrics. The gradient descent algorithm is applied to obtain APTL porosity distributions corresponding to the optimal internal current density and temperature distribution uniformity, respectively. Compared with the uniform porosity distribution, the current density and temperature uniformity are improved by 45.544 % and 26.680 %, respectively, at an average APTL porosity of 0.5.