Numerical manifold method modeling of coupled processes in fractured geological media at multiple scales

The greatest challenges of rigorously modeling coupled hydro-mechanical(HM)processes in fractured geological media at different scales are associated with computational geometry.These challenges include dynamic shearing and opening of intersecting fractures at discrete fracture scales as a result of coupled processes,and contact alteration along rough fracture surfaces that triggers structural and physical changes of fractures at micro-asperity scale.In this paper,these challenges are tackled by developing a comprehensive modeling approach for coupled processes in fractured geological media based on numerical manifold method(NMM)at multiple scales.Based on their distinct geometric features,fractures are categorized into three different scales:dominant fracture,discrete fracture,and discontinuum asperity scales.Here the scale is relative,that of the fracture relative to that of the research interest or domain.Different geometric representations of fractures at different scales are used,and different governing equations and constitutive relationships are applied.For dominant fractures,a finite thickness zone model is developed to treat a fracture as a porous nonlinear domain.Nonlinear fracture mechanical behavior is accurately modeled with an implicit approach based on strain energy.For discrete fractures,a zero-dimensional model was developed for analyzing fluid flow and mechanics in fractures that are geometrically treated as boundaries of the rock matrix.With the zero-dimensional model,these fractures can be modeled with arbitrary orientations and intersections.They can be fluid conduits or seals,and can be open,bonded or sliding.For the discontinuum asperity scale,the geometry of rough fracture surfaces is explicitly represented and contacts involving dynamic alteration of contacts among asperities are rigorously calculated.Using this approach,fracture alteration caused by deformation,re-arrangement and sliding of rough surfaces can be captured.Our comprehensive model is able to handle the computational challenges with accurate representation of intersections and shearing of fractures at the discrete fracture scale and rigorously treats contacts along rough fracture surfaces at the discontinuum asperity scale.With future development of three-dimensional(3D)geometric representation of discrete fracture networks in porous rock and contacts among multi-body systems,this model is promising as a basis of 3D fully coupled analysis of fractures at multiple scales,for advancing understanding and optimizing energy recovery and storage in fractured geological media.

NUMERICAL MODELING FOR COUPLED THERMO-HYDRO-MECHANICAL AND CHEMICAL PROCESSES (THMC) OF GEOLOGICAL MEDIA——INTERNATIONAL AND CHINESE EXPERIENCES

The coupled thermo-hydro-mechanical and chemical (THMC) processes of stress/deformation,fluid flow,temperature and geochemical reactions of the geological media,namely fractured rocks and soils,play an important role in design,construction,operation and environmental impact assessments of rock and soil engineering works such as underground nuclear waste repositories,oil/gas production and storage,geothermal energy extraction,landslides and slope stability,hydropower and water conservancy complexes,etc. This paper presents an overview of the international and Chinese experiences in numerical modeling of the coupled THMC processes for both the state-of-the-knowledge,remaining challenges and possible future prospects.

Progress in Processes and Catalysts for Dehydrogenation of Cyclohexanol to Cyclohexanone

The dehydrogenation of cyclohexanol to cyclohexanone is a crucial industrial process in the production of caprolactam and adipic acid, both of which serve as important precursors in nylon textiles. This endothermic reaction is constrained by thermodynamic equilibrium and involves a complex reaction network, leading to a heightened focus on catalysts and process design. Copper-based catalysts have been extensively studied and exhibit exceptional low-temperature catalytic performance in cyclohexanol dehydrogenation, with some being commercially used in the industry. This paper specifically concentrates on research advancement concerning active species, reaction mechanisms, factors influencing product selectivity, and the deactivation behaviors of copper-based catalysts. Moreover, a brief introduction to the new processes that break thermodynamic equilibrium via reaction coupling and their corresponding catalysts is summarized here as well. These reviews may off er guidance and potential avenues for further investigations into catalysts and processes for cyclohexanol dehydrogenation.

Variations and relations between chlorophyll concentrations and physical-ecological processes near the West Antarctic Peninsula

The West Antarctic Peninsula(WAP)region is one of the most productive marine ecosystems in the Southern Ocean that support the food web for phytoplankton,krill spawning or recruitment and several krill consumers at higher-trophic level like penguins and Antarctic fur seals.Characterized by channels and islands,the complex topography of the WAP generates interconnected circulation patterns,strongly influencing vertical stratification,nutrient availability and distribution of marine organisms.Additionally,rapid climate change associated with major climate modes like the Southern Annular Mode(SAM)and El Niño-Southern Oscillation(ENSO)has significant effects on long-term variations of physical environments and biological production.The objective of this study is to reveal the spatial-temporal variations of phytoplankton biomass in the WAP region and the modulating physical-ecological processes.By using 9-year hydrographic and ecological data of five transects collected by the Palmer Long-Term Ecosystem Research,the horizontal and vertical distributions of several physical and ecological properties,with a particular focus on chlorophyll(Chl)concentration were explored.Regression analysis among area-averaged properties and properties at single stations was performed to reveal the relationship between the interannual variations of physical and ecological processes.The correlation results showed that Chl concentration exhibited a positive relationship with both the circumpolar deep water(CDW)intrusion and vertical stratification,but showed a negative correlation with SAM at some specific stations.However,certain processes or mechanisms may only be dominant for specific stations and not applicable to the entire region.No single physical or ecological factors have been found to significantly influence the Chl distribution throughout the WAP region,which may be attributed to the heterogeneity of sea ice conditions,geometry and hydrodynamic features as well as variations in nutrient sources.

AN ADAPTIVE EFG-FE COUPLING METHOD FOR THE NUMERICAL SIMULATION OF EXTRUSION PROCESSES

An adaptive EFG-FE coupling method is proposed and developed for the numerical simulation of lateral extrusion and forward-backward extrusion. Initially, the simulation has been implemented by using a conventional FE model. During the deforming process, mesh quality is checked at every incremental step. Distorted elements are automatically converted to EFG nodes, whereas, the less distorted elements are reserved. A new algorithm to generate EFG nodes and interface elements is presented. This method is capable of dealing with large deformation and has higher computational efficiency than using an EFG method wholly. Numerical results demonstrate that the adaptive EFG-FE coupling method has reasonable accuracy and is effective for local bulk metal forming such as extrusion processes.

ANALYSIS OF THE THERMOPHYSICAL PARAMETERS OF MOIST WOOD PARTICLE MATERIAL IN A COUPLED HEAT AND MASS TRANSFER PROCESS OF FREEZING BY USING FINITE ELEMENT METHOD

The coupled heat and moisture transfer in a freezing process of wood particle material was mathematically modeled in the paper. The models were interactively solved by using the numerical method(the finite element method and the finite difference method). By matching the theoretical calculation to an experiment, the nonlinear problem was analyzed and the variable thermophysical parameters concerned was evaluated. The analysis procedure and the evaluation of the parameters were presented in detail. The result of the study showed that by using the method as described in the paper, it was possible to determine the variable (with respect to temperature, moisture content and freezing state) thermophysical parameters which were unknown or difficult to measure as long as the governing equations for a considered process were available. The method can significantly reduces the experiment efforts for determining thermophysical parameters which arc very complicated to measure. The determined variable of the effective heat conductivity of wood particle material was given in the paper. The error of the numerical calculation was also estimated by the comparison with a matched experiment.

The effects of process conditions on the plasma characteristic in radio-frequency capacitively coupled SiH_4/NH_3/N_2 plasmas: Two-dimensional simulations

A two-dimensional （2D） fluid model is presented to study the behavior of silicon plasma mixed with SiH4 , N2 , and NH3 in a radio-frequency capacitively coupled plasma （CCP） reactor. The plasma–wall interaction （including the deposition） is modeled by using surface reaction coefficients. In the present paper we try to identify, by numerical simulations, the effect of variations of the process parameters on the plasma properties. It is found from our simulations that by increasing the gas pressure and the discharge gap, the electron density profile shape changes continuously from an edge-high to a center-high, thus the thin films become more uniform. Moreover, as the N2 /NH3 ratio increases from 6/13 to 10/9, the hydrogen content can be significantly decreased, without decreasing the electron density significantly.

Effects of Tensor Couplings on Nucleonic Direct URCA Processes in Neutron Star Matter

The relativistic neutrino emissivity of the nucleonic direct URCA processes in neutron star matter is investigated within the relativistic Hartree-Fock approximation. We particularly study the influences of the tensor couplings of vector mesons ω and ρ on the nucleonic direct URCA processes. It is found that the inclusion of the tensor couplings of vector mesons w and p can slightly increase the maximum mass of neutron stars. In addition, the results indicate that the tensor couplings of vector mesons ω and ρ lead to obvious enhancement of the total neutrino emissivity for the nucleonic direct URCA processes, which must accelerate the cooling rate of the non- superfluid neutron star matter. However, when considering only the tensor coupling of vector meson ρ, the neutrino emissivity for the nucleonic direct URCA processes slightly declines at low densities and significantly increases at high densities. That is, the tensor coupling of vector meson ρ leads to the slow cooling rate of a low-mass neutron star and rapid cooling rate of a massive neutron star.

The etching process and mechanism analysis of Ta-Sb2Te3 film based on inductively coupled plasma

Compared to the conventional phase change materials,the new phase change material Ta-Sb2Te3 has the advantages of excellent data retention and good material stability.In this letter,the etching characteristics of Ta-Sb2Te3 were studied by using CF4/Ar.The results showed that when CF4/Ar=25/25,the etching power was 600 W and the etching pressure was 2.5 Pa,the etching speed was up to 61 nm/min.The etching pattern of Ta-Sb2Te3 film had a smooth side wall and good perpendicularity(close to 90°),smooth surface of the etching(RMS was 0.51nm),and the etching uniformity was fine.Furthermore,the mechanism of this etching process was analyzed by X-ray photoelectron spectroscopy(XPS).The main damage mechanism of ICP etching in CF4/Ar was studied by X-ray diffraction(XRD).

Entanglement and decoherence of coupled superconductor qubits in a non-Markovian environment

The sudden death of entanglement is investigated for the non-Markovian dynamic process of a pair of interacting flux qubits under a thermal bath. The results show that, for initially two-qubit entangled states, entanglement sudden death （ESD） always happens in the thermal reservoir, where its appearance strongly depends on the environment. In particular, ESD of the qubits occurs more easily for the non-Markovian process than for the Markovian one.

Design of a hexagonal air-coupled capacitive micromachined ultrasonic transducer for air parametric array

An air parametric array can generate a highly directional beam of audible sound in air,which has a wide range of applications in targeted audio delivery.Capacitive micromachined ultrasonic transducer(CMUTs)have great potential for air-coupled applications,mainly because of their low acoustic impedance.In this study,an air-coupled CMUT array is designed as an air parametric array.A hexagonal array is proposed to improve the directivity of the sound generated.A finite element model of the CMUT is established in COMSOL software to facilitate the choice of appropriate structural parameters of the CMUT cell.The CMUT array is then fabricated by a wafer bonding process with high consistency.The performances of the CMUT are tested to verify the accuracy of the finite element analysis.By optimizing the component parameters of the bias-T circuit used for driving the CMUT,DC and AC voltages can be effectively applied to the top and bottom electrodes of the CMUT to provide efficient ultrasound transmission.Finally,the prepared hexagonal array is successfully used to conduct preliminary experiments on its application as an air parametric array.

Modeling Hydrothermal Transfer Processes in Permafrost Regions of Qinghai-Tibet Plateau in China

Hydrothermal processes are key components in permafrost dynamics; these processes are integral to global wanning. In this study the coupled heat and mass transfer model for （CoupModel） the soil-plant-atmosphere-system is applied in high-altitude permafrost regions and to model hydrothermal transfer processes in freeze-thaw cycles. Measured meteorological forcing and soil and vegetation properties are used in the CoupModel for the period from January 1, 2009 to December 31, 2012 at the Tanggula observation site in the Qinghai-Tibet Plateau. A 24-h time step is used in the model simulation. The results show that the simulated soil temperature and water content, as well as the frozen depth compare well with the measured data. The coefficient of determination （R2） is 0.97 for the mean soil temperature and 0.73 for the mean soil water content, respectively. The simulated soil heat flux at a depth of 0-20 cm is also consistent with the monitored data. An analysis is performed on the simulated hydrothermal transfer processes from the deep soil layer to the upper one during the freezing and thawing period. At the beginning of the freezing period, the water in the deep soil layer moves upward to the freezing front and releases heat during the freezing process. When the soil layer is completely frozen, there are no vertical water ex- changes between the soil layers, and the heat exchange process is controlled by the vertical soil temperature gradient. During the thaw- ing period, the downward heat process becomes more active due to increased incoming shortwave radiation at the ground surface. The melt water is quickly dissolved in the soil, and the soil water movement only changes in the shallow soil layer. Subsequently, the model was used to provide an evaluation of the potential response of the active layer to different scenarios of initial water content and climate warming at the Tanggula site. The results reveal that the soil water content and the organic layer provide protection against active layer deepening in summer, so climate warming will cause the permafrost active layer to become deeoer and permafrost degradation.

Dynamics of Ore-Forming Processesof the Stratabound Skarn Copper Depositsof Tongling, Anhui Province

The skarn and ore bodies of the stratabound skarn copper deposits of Tongling, Anhui Province, are both controlled by definite stratigraphic horizons, and they are concordant with the strata. They occur as layers and layer-like bodies in permeable carbonate rocks of the Middle-Upper Carboniferous Huanglong and Chuanshan Formations which are underlain by impermeable shale or siliceous rocks of the Upper Devonian Wutong Formation. The authors study the dynamics of ore-forming processes of the ore deposits with the dynamic model of coupled transport and reaction, and the following results are obtained: The salinity gradient and flow rate of the ore-forming fluids can both promote the mixing and reaction of juvenile water and formation water, and the permeable strata are favourable sites for the intense transport-reaction of mixing and the formation of deposits. (2) As isothermal transport-reaction took place along the bedding of strata, the moving transport-reaction front formed at the contact between the ore-forming fluids and the rocks advanced slowly along the permeable strata, and then stratiform skarn and ore bodies concordant with the strata were formed. (3) The gradient transport-reaction taking place across the isotherms in the cross-bedding direction caused the mineralogical composition to alter gradually from magnesian skarn to sulphide ore bodies.

Towards Production and Energy Coupling System Modeling and Simulation for Energy Optimization in the Process Industry

The production and energy coupling system is used to mainly present energy flow, material flow, information flow, and their coupling interaction. Through the modeling and simulation of this system, the performance of energy flow can be analyzed and optimized in the process industry. In order to study this system, the component based hybrid Petri net methodology (CpnHPN) is proposed, synthesizing a number of extended Petri net methods and using the concept of energy place, material place, and information place. Through the interface place in CpnHPN, the component based encapsulation is established, which enables the production and energy coupling system to be built, analyzed, and optimized on the multi-level framework. Considering the block and brief simulation for hybrid system, the CpnHPN model is simulated with Simulink/Stateflow. To illustrate the use of the proposed methodology, the application of CpnHPN in the energy optimization of chlorine balance system is provided.

Numerical simulation of a sheet metal extrusion process by using thermal-mechanical coupling EAS FEM

The thermal-mechanical coupling finite element method(FEM)was usedto simulate a non-isothermal sheet metal extrusion process. On thebasis of the finite plasticity consistent with multiplicativedecomposition of the deformation gradient, the enhanced as- sumedstrain(EAS)FEM was applied to carry out the numerical simulation. Inorder to make the computation reliable ad avoid hour- glass mode inthe EAS element under large compressive strains, an alterative formof the original enhanced deformation gradient was employed. Inaddition, reduced factors were used in the computation of the elementlocal internal parameters and the enhanced part of elementalstiffness.

Climate Simulations Based on a Different-GridNested and Coupled Model

An atmosphere-vegetation interaction model (AVIM) has been coupled with a nine-layer General Cir culation Model (GCM) of Institute of Atmospheic Physics / State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics (IAP/ LASG), which is rhomboidally truncated at zonal wave number 15, to simulate global climatic mean states. AVIM is a model having inter-feedback between land surface processes and eco-physiological processes on land. As the first step to couple land with atmosphere completely, the physiological processes are fixed and only the physical part (generally named the SVAT (soil-vegetation-atmosphere-transfer scheme) model) of AVIM is nested into IAP/ LASG L9R15 GCM. The ocean part of GCM is prescribed and its monthly sea surface temperature (SST) is the climatic mean value. With respect to the low resolution of GCM, i.e., each grid cell having lon gitude 7.5?and latitude 4.5? the vegetation is given a high resolution of 1.5?by 1.5?to nest and couple the fine grid cells of land with the coarse grid cells of atmosphere. The coupling model has been integrated for 15 years and its last ten-year mean of outputs was chosen for analysis.Compared with observed data and NCEP reanalysis, the coupled model simulates the main characteris tics of global atmospheric circulation and the fields of temperature and moisture. In particular, the simu lated precipitation and surface air temperature have sound results. The work creates a solid base on coupling climate models with the biosphere.

Novel Control Structure Design of Differential Pressure Thermally Coupled Reactive Distillation for Methyl Acetate Hydrolysis

In this paper, the novel control structures of differential pressure thermally coupled reactive distillation process for methyl acetate hydrolysis were proposed. The RadFrac module of Aspen Plus was adopted in the steady-state simulation. Sensitive analysis was applied to find the stable intial value and provide a basis for the improved control structure design. The Aspen Dynamics software was adopted to study the process dynamic behaviors, and two novel control structures provided with feed ratio controllers and sensitive tray temperature controllers were proposed. The reflux ratio controllers were applied in the improved novel control structures. Both control structures abandoned the composition controllers that were replaced by simpler controllers with which the product purity could meet the specification requiring under a ± 20% disturbance to the total feed flowrate / MeAc composition.

The Mesozoic Basin-Mountain Coupling Process of the Southern East China Sea Shelf Basin and its Adjacent Land Area

Basin-mountain coupling is a key issue for basin formation and evolution. The analysis of basin-mountain coupling process, as well as quantitative or semiquantitative restoration of prototype basin and the evolution of continental margin, can be used to interpret the geological process of basin-range conversion and reconstruct early prototype basins, which is a difficult and leadin~ scientific oroblem of basin research.

Simulations of THM processes in buffer-rock barriers of high-level waste disposal in an argillaceous formation

The main objective of this paper is to investigate and analyse the thermo-hydro-mechanical（THM） coupling phenomena and their influences on the repository safety.In this paper,the high-level waste（HLW） disposal concept in drifts in clay formation with backfilled bentonite buffer is represented numerically using the CODE BRIGHT developed by the Technical University of Catalonia in Barcelona.The parameters of clay and bentonite used in the simulation are determined by laboratory and in situ experiments.The calculation results are presented to show the hydro-mechanical（HM） processes during the operation phase and the THM processes in the after-closure phase.According to the simulation results,the most probable critical processes for the disposal project have been represented and analyzed.The work also provides an input for additional development regarding the design,assessment and validation of the HLW disposal concept.

Formation Mechanism in Alloy Steel Rolling Process Using Thermo-mechanical Coupling Method

Based on the theory of elastic-plastic finite element method, the high-speed hot continuous rolling process of a billet is simulated and analyzed in vertical and horizontal passes. The billet is dragged into the passes by contact friction force between the billet and rollers. The rollers and billet are represented by respectively rigid and deformable bodies, and three-dimensional models are developed for the billet and rollers. The distribution of deformation field, effective strain, rolling force and temperature field are accurately calculated for the whole rolling process （including unstable and stable stages）. In addition, the rolling pressure on the width symmetry center is compared with that in the in-situ experimental measurements. It is revealed that various heat exchange phenomena among the billet, rollers and surroundings can result in unbalanced temperature distribution on the cross section. Rolling force and strain can change significantly when the billet is moved towards or away from the roller gap, and keep almost invariable in the stable stage. It is expected that the simulation results would be useful for practical manufacture and provide the theoretical foundation for improvement of process planning and optimization of process parameters.