Computer Simulation Research Articles

Extension of the SpK atomic physics code to generate global equation of state data

Global microphysics models are required for the modelling of high-energy-density physics (HEDP) experiments, the improvement of which are critical to the path to inertial fusion energy. This work presents further developments to the atomic and microphysics code, SpK, part of the numerical modelling suite of Imperial College London and First Light Fusion. We extend the capabilities of SpK to allow the calculation of the equation of state (EoS). The detailed configuration accounting calculations are interpolated into finite-temperature Thomas–Fermi calculations at high coupling to form the electronic component of the model. The Cowan model provides the ionic contribution, modified to approximate the physics of diatomic molecular dissociation. By utilising bonding corrections and performing a Maxwell construction, SpK captures the EoS from states ranging from the zero-pressure solid, through the liquid–vapour coexistence region and into plasma states. This global approach offers the benefit of capturing electronic shell structure over large regions of parameter space, building highly-resolved tables in minutes on a simple desktop. We present shock Hugoniot and off-Hugoniot calculations for a number of materials, comparing SpK to other models and experimental data. We also apply EoS and opacity data generated by SpK in integrated simulations of indirectly-driven capsule implosions, highlighting physical sensitivities to the choice of EoS models.

Evaluation of pool-and-weir fishway efficiency for the upstream spawning migration of Qinghai Lake's naked carp

Przewalski's Naked Carp (Gymnocypris przewalskii) is a typical migratory fish species of the Qinghai Lake region (China). This study focused on the Gangbei Channel fishway located in the Shaliu River, a tributary of Qinghai Lake. A fish passage study was conducted during the peak of the upstream migration of G. przewalskii, and entry proportion and passage efficiency in the Gangbei channel fishway was monitored in real-time using PIT-Telemetry. A detailed hydraulic characterization of the fishway was done using a 3-D numerical model validated by in-situ measurements, and combined with empirical swimming ability data for the species. The results showed that: (1) the proportion of released G. przewalskii entering and passing the fishway were 13% and 5%, respectively; (2) discharge, fish body length, salinity, and diel period were key factors affecting the attempt rate of the G. przewalskii; (3) The critical swimming speed and sprint swimming speed at 50% of G. przewalskii reaching fatigue were 1.02 m/s and 1.91 m/s, respectively; (4) Based on the swimming ability of G. przewalskii and the hydraulic characteristics of the fishway, the flow velocity at the weir sections of the fishway exceeded the sprint swimming ability of G. przewalskii, creating a velocity barrier. Data derived from this study will be used to provide a more comprehensive theoretical basis and data reference for the eco-hydraulic reconstruction of pool-and-weir fishways providing an efficient upstream passage for the conservation of G. przewalskii and other species.

Mechanic-electric-thermal coupling simulation method of Lamb wave under variable temperature

The propagation mechanism of Lamb waves exhibits more intricate in the variable operational environment of high-speed trains. Simulation methods are widely used to study Lamb wave propagation characteristics due to economic and time constraints. A mechanic-electric-thermal coupling simulation method to study the propagation mechanism of Lamb waves under variable temperatures is proposed in this paper. To accurately simulate the dynamic behavior of Piezoelectric Transducer (PZT) under variable temperature, a nonlinear numerical model of the dynamic parameters (piezoelectric coefficient, dielectric constant) of PZTs has been developed based on the experiment of the temperature influence on Lamb wave. The model emphasizes the nonlinear pattern of change in the key dynamic parameters of the PZT with temperature fluctuations. In addition, a thermal expansion stress model of the PZT-bonding layers-structure is established to reveal the mechanical-thermal coupling mechanism. Based on the COMSOL, a mechanical-electrical-thermal direct coupling simulation model of PZT-bonding layers- structure under variable temperature is established. The simulation results at −40 °C to 80 °C are obtained and compared to the experiment. The results show that the simulation signal is highly consistent with the experimental measurement signal, and the simulation method proposed in this paper has high accuracy.

Analysis of the behavior of piled foundations in unconventional soil

Building foundations using pile groups generally assume that the piles absorb the entire load of the structure. However, it is known that pile caps rest not only on the piles but also on the surrounding soil. These foundations involve great complexity in the phenomenon of load sharing, especially when they are situated on unconventional soils, such as tropical climate soils. To study this behavior, static load tests were conducted on real foundations. These tests were also used to calibrate a three-dimensional finite element numerical model (FEA-3D) using Rocscience's RS3 software. The results showed that the settlement corresponding to the allowable load of the pile groups was significantly lower, ranging from 22 % to 73 %, compared to pile caps that exert contact pressure on the soil. For pile groups, the efficiency ranged between 92 % and 109 %, while for pile caps with contact, it ranged from 132 % to 178 %. In this sense, it becomes evident that estimating the settlement of the pile group based on the conventional design, which does not consider the contact between the cap and the soil, can significantly underestimate the settlement, and provide an overly optimistic analysis of the soil-structure interaction.

Analysis of natural convection in a representative cavity of a room considering oscillatory boundary conditions: An experimental and numerical approach

Natural convection heat transfer in cavities commonly occurs in various engineering problems. Specifically, the problem of a differentially heated cavity with oscillatory boundary conditions arises in the design of energy-saving strategies or energy evaluations within the building sector. This work addressed numerically and experimentally the natural convection in a full-scale room subjected to diurnal heating and nocturnal cooling. The experiment was instrumented with temperature sensors and an air velocity sensor, inspired by works reported in the literature. The numerical model involved solving the equations governing natural convection, considering turbulent bi-dimensional and three-dimensional flow in a transient state. This research allowed the selection of an appropriate turbulence model and evaluated the performance of the two-dimensional and three-dimensional approaches in simulations. Results showed that the k-omega SST model performed best in predicting velocity, while the standard k-omega model performed best in predicting temperature for the two-dimensional simulation, and the RNG k-epsilon model performed best for the three-dimensional simulation. Additionally, the three-dimensional simulation more accurately reproduced the chaotic fluctuations observed in experimental velocity data, demonstrating up to 30 % better estimation during periods of high velocities. The study identified the reversal of convective cells in the cavity, with an approximate duration of 2 h and 40 min in a real case. This study contributes to improving the understanding of turbulent natural convection in a differentially heated cavity with oscillatory boundary conditions. These findings have significant implications for various environmental and engineering applications, including the design of thermally comfortable buildings.

Numerical investigation of the physical-thermal-chemical behaviours of particles during coal combustion and desulfurization processes in a CFB combustor

The desulfurization process has been practised for the clean utilization of coal in chemical engineering fields, yet the physical, thermal, and chemical characteristics of particles are still lacking understanding. In this work, a comprehensive numerical model based on the Eulerian-Lagrangian framework was established to study the particle behaviours during coal combustion and desulfurization processes in a pilot-scale circulating fluidized bed (CFB) combustor. After model validation, the effects of several crucial operation parameters (e.g., excess air ratio, calcium to sulphur ratio, and calcium oxide size) on particle behaviours are illuminated. The results show that density-induced segregation causes coal particles to accumulate in the upper part of the riser. The sand, coal, and CaO particles have time-averaged Reynolds numbers of 15, 6.5, and 0.5, respectively. The particle temperature is higher in areas with lower solid concentrations. Increasing excess air ratio (ϕg) decreases the temperature of sand particles but elevates that of coal and CaO particles. The average particle heat transfer coefficients (HTCs) for sand, coal, and CaO particles are 205 W/m2·K, 172 W/m2·K, and 275 W/m2·K, respectively. With the increase in ϕg, the HTC of sand particles increases but that of CaO particles remains unchanged, additionally, the mass of coal particles decreases and the mass of carbon in coal particles decreases along with the riser. The influence of the Ca/S ratio and CaO size on the axial distribution of coal particle mass and carbon mass fraction is negligible. For each particle species, the axial dispersion coefficient (Dz) is two orders of magnitude greater than the radial ones (Dx, Dy), indicating that the vertical introduction of the fluidizing gas dominates the dense gas-solid flow in the riser.

Thermally induced release and generation of CO2 and C1–C4 hydrocarbons in Opalinus Clay from Mont Terri (Switzerland)

Claystone formations are candidate host rocks for high-level heat-emitting nuclear waste (HLW). Temperatures from 90 to 150 °C at the canister surface are discussed internationally as potential emplacement and storage conditions. The thermal energy emitted from waste containers will be transported into the host rock formation, accelerating chemical reactions including the release of sorbed and dissolved gases and the generation of new gases. This study investigated gas release and generation in Opalinus Clay from Mont Terri (Switzerland) at elevated temperature and pressure conditions relevant for HLW storage and beyond. Hydrous pyrolysis experiments were conducted in Dickson-type flexible gold-titanium reaction cells and gold capsules in the temperature range of 80–345 °C and at 20 MPa. CO2(g) was the predominant product, followed by C1–C4 hydrocarbons, which decrease in abundance with increasing carbon atom number. Neither CO nor H2S was detected. H2 was generated only in high temperature experiments at 315 °C and 345 °C, respectively. A combination of CO2(g) quantification, stable carbon isotopic composition data, thermodynamic calculations and aqueous fluid composition (dissolved ions, pH) demonstrated that ≥80 % of the measured CO2(g) originated from carbonate mineral dissolution. The model calculations also suggest that the fraction of CO2(aq) in DIC increases from ∼50 % at 80 °C to nearly 100 % at higher temperatures. Thermal transformation of organic matter represented an additional source for CO2(g) and was the predominant process yielding the C1–C4 hydrocarbons. Our findings stress the importance of quantitative geochemical data for the safety assessment of potential host rocks for HLW storage. We demonstrated that two sources are involved in gas release and generation at temperatures relevant for HLW storage, e.g., in the Opalinus Clay – organic matter and carbonate minerals. Our data will contribute to numerical modelling studies and the refinement of feature, events, and processes (FEP) catalogues.

Study of effects of perforation layouts on wave energy dissipation caused by a submerged perforated breakwater in front of a vertical seawall

Perforated structures are a promising alternative to traditional breakwaters for constructing harbors and protecting coastlines. Perforated structures can effectively remove wave energy from ocean waves by the energy dissipation associated with the turbulence generated by the flow through the perforations in the structure. Understanding the factors that may affect the hydrodynamic characteristics of flow through a perforated plate is important for designing perforated marine structures. The purpose of this research was to determine the wave energy dissipation performance of thin-walled plates with various perforation configurations using OpenFOAM-based CFD simulation. Ten different plate configurations were designed and tested with a constant porosity while varying the distribution, shape, and size of the perforations, to determine the impacts to energy dissipation performance. The energy dissipation was quantified by CFD simulations of wave-interaction with a submerged perforated plate placed vertically in front of a vertical backwall (“seawall”). Physical wave flume experiments were also conducted to verify and validate the numerical models. The results showed that the perforation distribution, shape, and size play a minimal role in the energy dissipation performance when porosity is held constant. The minimal performance deviation between the perforation configurations was consistent across a range of wave periods and amplitudes.

Binding characteristics and structural dynamics of two general odorant-binding proteins with plant volatiles in the olfactory recognition of Glyphodes pyloalis

Glyphodes pyloalis Walker (Lepidoptera: Pyralidae) is the most destructive pest, causing severe damage to mulberry production in China's sericulture industry. The insecticide application in mulberry orchards poses a significant risk of poisoning to Bombyx mori. Shifting from insecticides to odor attractants is a beneficial alternative, but not much data is available on the olfactory system of G. pyloalis. We identified 114 chemosensory genes from the antennal transcriptome database of G. pyloalis, with 18 odorant-binding protein (OBP) and 17 chemosensory protein (CSP) genes significantly expressed in the antennae. Ligand-binding assays for two antennae-biased expressed general odorant-binding proteins (GOBPs) showed high binding affinities of GOBP1 to hexadecanal, β-ionone, and 2-ethylhexyl acrylate, while GOBP2 exhibited binding to 4-tert-octylphenol, benzyl benzoate, β-ionone, and farnesol. Computational simulations indicated that van der Waal forces predominantly contributed to the binding free energy in the binding processes of complexes. Among them, Phe12 of GOBP1 and Phe19 of GOBP2 were demonstrated to play crucial roles in their bindings to plant volatiles using site-directed mutagenesis experiments. Moreover, hexadecanal and β-ionone attracted G. pyloalis male moths in the behavioral assays, while none of the candidate plant volatiles significantly affected female moths. Our findings provide a comprehensive understanding of the molecular mechanisms underlying olfactory recognition in G. pyloalis, setting the groundwork for novel mulberry pests control strategies based on insect olfaction.

Mechanism clarification and mitigation measures of radial deformation induced by girth welding of thin-walled pipes

Girth welding is extensively utilized in connecting pipeline structures. Excessive welding deformation may result in a decrease in ultimate bearing capacity and fatigue life. This research explores the characteristics and underlying mechanics of radial deformation in thin-walled girth welded pipes and proposes mitigation measures. Initially, several 304 stainless steel pipes were joined utilizing four distinct welding procedures. Welding deformation and residual stress distribution were measured using a 3D coordinate measuring machine (CMM) and the Cos α X-ray diffraction (XRD) method, respectively. Subsequently, numerical models were developed to simulate the welding process and verify the accuracy of the fusion zone, residual stress field, and radial deformation in the models. The mechanism of radial deformation was further elucidated based on the inherent strain method. The results show that the direction of radial deformation relies substantially on the hoop plastic strain. Hoop tensile plastic strain corresponds to radial outward deformation, while hoop shrinkage plastic strain corresponds to radial inward deformation. In addition, the influence of axial constraint on the formation process and results of hoop plastic strain, as well as the effect of heating zone width on radial deformation, was studied. Through simulation outcomes, the research suggests employing a regulated heat source method to mitigate radial deformation, which could potentially reduce deformation by 92.8%, offering considerable advantages in deformation mitigation and welding efficiency augmentation.

Numerical investigation on the effect of area ratio on an adjustable ejector for heat pump dryer based on dynamic mesh

Adjustable ejector is considered as a promising device to recover the expansion work and enhance the performances of refrigeration or heat pump system. To investigate the impacts of area ratio (AR) of mixing chamber throat to nozzle throat, a dynamic mesh based numerical model of an adjustable ejector for the heat pump dryer was established. The area of nozzle throat could be modified by adjusting the position of needle. The movement of needle was simulated by using the dynamic mesh method. The effects of the nozzle throat area and the mixing chamber throat area on the ejector performances were investigated. Further, the optimal values of dimensionless parameter AR under the different structure parameters of ejector were estimated. The numerical model was validated by the experimental results, and the k-ε standard turbulence model was proved to predict the ejector performances well. The numerical results indicated the optimal AR to obtain the maximum entrainment ratio of ejector ranged from 2.65 to 4.87 at the given working condition. Among the structure parameters of ejector, the length of constant-area mixing section has the greatest influence on the optimal AR. These numerical results provided the guidance for structure optimization of adjustable ejectors in heat pump dryer.

Effectiveness of different mixed physical barriers in controlling seawater intrusion in homogeneous and layered coastal aquifers

The intrusion of salt water into coastal regions threatens water resources, especially in arid and semi-arid regions. It damages large quantities of fresh water in these regions, and the productivity of the freshwater abstraction wells declines. Management of seawater intrusion (SWI) is therefore needed to improve fresh groundwater in these regions. This study investigated 12 different configurations of mixed physical subsurface barriers (MPBs) to control SWI in homogeneous and heterogeneous layered aquifers. The effectiveness of different MPB locations and configurations was tested, including (i) a barrier wall on the landward side and the subsurface dams on the seaward side, (ii) a barrier wall on the seaward side and a subsurface dam on the landward side, and (iii) the barrier wall was placed above the subsurface dam, both with different permeabilities. All simulations were based on the SEAWAT code. The numerical model was validated against experimental data. The results showed that a permeable cut-off wall above an impermeable subterranean dam (case MPB-3) with different permeabilities resulted in a reduction of the seawater wedge of 91% and 92% for homogeneous and heterogeneous layered aquifers, respectively. When the barrier wall was placed on the land side and the dam on the seaside (case MPB-1), the reduction of the seawater wedge reached 83% and 85% for homogeneous and heterogeneous layered aquifers, respectively. In contrast, when the dam was placed on the land side and the wall on the seaside (case MPB-2), the saltwater wedge was reduced by 73% for both homogeneous and heterogeneous layered aquifers. In addition, a case study was conducted on the Biscayne aquifer, southeast Florida, USA, with homogeneous conditions. Seawater intrusion was reduced by 36% and 44% in case MPB-1, 41% and 38% in case MPB-2, and 43% and 46% in case MPB-3. These seawater intrusion control methods offer numerous benefits, including improving freshwater storage, effectively controlling salinity during droughts, and potentially improving contaminant management.

Local buckling behaviour of Q690 high strength steel press-braked elliptical hollow section stub columns: Testing, numerical modelling, and design

This paper presents comprehensive investigations on the local bucking behaviour of Q690 high strength steel (HSS) press-braked elliptical hollow section (EHS) stub columns subject to concentric compression experimentally. In comparison with conventional hot-finished EHS or cold-rolled EHS, the press-braked EHS provides high precision, great construction productivity and the fabricated geometries are not limited to production assembly instrumentation. HSS press-braked EHS fabricated through press-braking process was expected to exhibit distinct behaviour compared with their counterparts constructed from the conventional fabrication routes. Well-understanding of their performance at the levels of material, and cross-section level is essential. Material properties were obtained through tensile coupon tests. Residual stresses in both membrane and bending types were measured and recorded and their impact on structural performance was also assessed. Initial local geometric imperfection measurements were conducted for all the specimens. In conjunction with experimental studies, the finite element (FE) models of Q690 HSS press-braked EHS stub columns were developed. The accuracy of the FE model for HSS press-braked EHS stub column was asserted by comparing the numerical predictions with the tested results. An extensive parametric study was conducted to generate structural performance data with a wider range of cross-section slenderness to complement the test data bank. The cross-section classification for conventional CHS codified in existing standards and the proposed slenderness limits by various researchers were evaluated. The existing slenderness limits cannot be extended to HSS press-braked EHS investigated in this study, a new slenderness limit is proposed. Moreover, the advanced design approaches of Direct Strength Method (DSM) and Continuous Strength Method (CSM) were assessed for their applicability to the cross-section resistance predictions of the examined EHS stub columns.

Chemical optimization and derivatization of micrococcin p2 to target multiple bacterial infections: new antibiotics from thiopeptides.

Antimicrobial resistance poses a significant threat to humanity, and the development of new antibiotics is urgently needed. Our research has focused on thiopeptide antibiotics such as micrococcin P2 (MP2) and derivatives thereof as new anti-infective agents. Thiopeptides are sulfur-rich, structurally complex substances that exhibit potent activity against Gram-positive pathogens and Mycobacteria species, including clinically resistant strains. The clinical development of thiopeptides has been hampered by the lack of efficient synthetic platforms to conduct detailed structure-activity relationship studies of these natural products. The present contribution touches upon efficient synthetic routes to MP2 that laid the groundwork for clinical translation. The medicinal chemistry campaign on MP2 has been guided by computational molecular dynamic simulations and parallel investigations to improve drug-like properties, such as enhancing the aqueous solubility and optimizing antibacterial activity. Such endeavors have enabled identification of promising lead compounds, AJ-037 and AJ-206, against Mycobacterium avium complex (MAC). Extensive in vitro studies revealed that these compounds exert potent activity against MAC species, a subspecies of non-tuberculous mycobacteria (NTM) that proliferate inside macrophages. Two additional pre-clinical candidates have been identified: AJ-024, for the treatment of Clostridioides difficile infections, and AJ-147, for methicillin-resistant Staphylococcus aureus impetigo. Both compounds compare quite favorably with current first-line treatments. In particular, the ability of AJ-147 to downregulate pro-inflammatory cytokines adds a valuable dimension to its clinical use. In light of above, these new thiopeptide derivatives are well-poised for further clinical development.

The influence of the strength of pre-existing weak zones on rift geometry and strain localization

Continental rifts normally initiate within previously deformed lithosphere and thus their evolution and architecture can be largely controlled by inherited weak zones in the pre-rift crust. Here, we quantify the role of the strength and obliquity of pre-existing crustal-scale weak zones in the evolution of continental rift systems. We use a 3D numerical geodynamic model to assess strain localization, associated fault development, and rift segmentation during the early stages of tectonic extension. We find that both the strength and obliquity of the weak zones significantly influence the patterns of strain localization. A pre-existing very weak zone with low obliquity can promote the development of continuous and long-lived border faults parallel to the rift axis. Conversely, a comparatively strong weak zone with high obliquity leads to a staggered en-echelon rift geometry that lacks rectilinear laterally persistent strain localization. Furthermore, we find that rift obliquity and weak zone strength may modulate rift fault length, throw, and azimuth. These results provide new and compelling insights into the structure and evolution of natural active rifts that develop within orogenic basement terranes.

BP1003 Decreases STAT3 Expression and Its Pro-Tumorigenic Functions in Solid Tumors and the Tumor Microenvironment.

Overexpression and aberrant activation of signal transducer and activator of transcription 3 (STAT3) contribute to tumorigenesis, drug resistance, and tumor-immune evasion, making it a potential cancer therapeutic target. BP1003 is a neutral liposome incorporated with a nuclease-resistant P-ethoxy antisense oligodeoxynucleotide (ASO) targeting the STAT3 mRNA. Its unique design enhances BP1003 stability, cellular uptake, and target affinity. BP1003 efficiently reduces STAT3 expression and enhances the sensitivity of breast cancer cells (HER2+, triple negative) and ovarian cancer cells (late stage, invasive ovarian cancer) to paclitaxel and 5-fluorouracil (5-FU) in both 2D and 3D cell cultures. Similarly, ex vivo and in vivo patient-derived models of pancreatic ductal adenocarcinoma (PDAC) show reduced tissue viability and tumor volume with BP1003 and gemcitabine combination treatments. In addition to directly affecting tumor cells, BP1003 can modulate the tumor microenvironment. Unlike M1 differentiation, monocyte differentiation into anti-inflammatory M2 macrophages is suppressed by BP1003, indicating its potential contribution to immunotherapy. The broad anti-tumor effect of BP1003 in numerous preclinical solid tumor models, such as breast, ovarian, and pancreatic cancer models shown in this work, makes it a promising cancer therapeutic.

Modeling of microwave thawing and reheating of multiphase foods: A case study for packed rice

Microwave (MW) thawing and reheating of porous foods such as rice is a common practice, but uniform heating can be difficult to achieve. Computer simulation models were developed using the finite-element method to study MW thawing and reheating of packed rice. A method to obtain an apparent thermal conductivity was proposed, which accounts for heat distribution by water evaporation and condensation through the air pores in the sample. Reheating experiments of mashed compact rice and regular porous rice were carried out on a flatbed MW oven for 90 s. Similarly, thawing experiments were conducted on porous rice for 180 s. Good agreement between simulated and experimental results was obtained when correcting for thermal conductivity of the pores and for the volumetric power absorption between the frozen and thawed fractions This can help in the design of specifically designed porous foods and containers that allow for fast and homogeneous reheating.

A study of capacity demands for heat pumps intermittent heating of China’s residences

Heat pump heating is one of the most promising solutions for transitioning residential heating in China’s cold regions, as well as hot summer and cold winter regions from centralized, continuous heating to decentralized, intermittent heating, promoting low-carbon transformation. However, the fundamental issue of the actual capacity requirements for heat pumps in intermittent heating has not yet been addressed. In view of this, this study developed a numerical model that considers the dynamic coupling characteristics between the heat pump and the building environment. Using the model, the worst startup conditions for heat pumps in intermittent heating, actual heat pump capacity demands, and the differences in capacity compared to continuous heating mode for residential buildings in 230 Chinese cities are analyzed. The findings revealed an exponential relationship between intermittent heating capacity demands and time constraints, as well as a linear relationship with heating temperature. Specifically, the impact of the set temperature on capacity demands in cold regions and hot summer and cold winter regions is 22.8 W/(m2·°C) and 32 W/(m2·°C), respectively. These findings provide insights into the planning and design of future intermittent heating renovation projects in China.

Unraveling the link between magma and deformation during slow seafloor spreading

Detachment faulting related to oceanic core complexes (OCCs) has been suggested to be a manifestation of slow seafloor spreading. Although numerical models suggest OCCs form under low magma supply, the specific interaction between magmatism and tectonic faulting remains elusive. This paper examines seismic observations detailing the spatiotemporal interactions between magmatism, high-angle faulting, and detachment faulting at a slow-spreading mid-ocean ridge in the West Philippine Basin. We identified a magma-rich spreading phase, indicated by a magmatic top basement and oceanic crust with shallow-penetrating high-angle normal faults. An axial valley reveals an along-strike transition from magmatically-dominated to highly tectonized oceanic crust over a distance of 70 km. Two older OCCs with concave-down fault geometries and a younger OCC with steep-dipping faulting suggest sequential detachments with the same polarity. Our findings suggest: (1) slow seafloor spreading alternates between high-angle faulting with a relatively high magma supply and detachment faulting with a limited magma supply; (2) sequential development of younger detachments in the footwall of its predecessor leads to an asymmetric split in the newly accreted crust; and (3) the life cycle of OCC ends with high-angle faults that overprint the detachment and act as magma pathways, sealing the OCC. Our study captures the dynamic interaction between high-angle and detachment faults and their concurrent and subsequent relationship to magmatic systems. This reveals that strain distribution along strike is critical to OCC formation, thus enriching our understanding beyond conventional considerations such as spreading rates and melt budgets at mid-ocean ridges.

Device optimization of all inorganic CsPbBr3/LNMO based multi-layered perovskite light harvesters for broader capturing of solar spectrum

All inorganic Cesium lead bromide (CsPbBr3) planar perovskites have garnered enormous significance in photovoltaic applications owing to its outstanding stability against oxygen, heat and moisture. However, the power conversion efficiencies of the CsPbBr3 planar perovskites are quite low primarily due to the inferior range of light absorbance and interfacial charge recombination losses. This issue can be successfully resolved with a novel multi-absorber architecture approach which incorporates dual absorbers consisting of a lower band gap Lanthanum Nickel Manganese Oxide (La2NiMnO6 or LNMO) material along with the wider band gap CsPbBr3 material so that the light absorbance regime could be well extended for maximal utilization of the solar spectrum. Therefore, this article incorporates numerical modeling and guided optimization of all inorganic ITO/ETL/CsPbBr3/La2NiMnO6(LNMO)/HTL dual absorbers-based heterojunction structure to improvise the power conversion efficiency of CsPbBr3 based single absorber PSCs. The critical device’s parameters, such as; absorber layer and carrier transport layer thickness, defect density, temperature, doping concentration, frequency response, capacitance effects, Mott-Schottky effects as well as series and shunt resistances are thoroughly optimized and evaluated using Solar Cell Capacitance Simulator (SCAPS-1D) simulator. The proposed dual absorber layer composition produces a substantial enhancement in performance with a peak power conversion efficiency (PCE) of 26.98 %, short circuit current (Jsc) of 39.75 mA/cm2, open circuit voltage (Voc) of 0.85 V, and fill factor (FF) of 77.98 % at a device defect density of 1015 cm−3 outperforming the 11 % of PCE attained with the experimentally reported CsPbBr3 single junction counterpart along with PSCs with various dual absorbers-based composition.