Photolithography Process Simulation for Integrated Circuits and Microelectromechanical System Fabrication

Simulations of photoresist etching,aerial image,exposure,and post-bake processes are integrated to obtain a photolithography process simulation for microelectromechanical system（MEMS） and integrated circuit（IC） fabrication based on three-dimensional （3D） cellular automata（CA）. The simulation results agree well with available experimental results. This indicates that the 3D dynamic CA model for the photoresist etching simulation and the 3D CA model for the post-bake simulation could be useful for the monolithic simulation of various lithography processes. This is determined to be useful for the device-sized fabrication process simulation of IC and MEMS.

Computational Mass Transfer Method for Chemical Process Simulation

The recent works on the development of computational mass transfer （CMT） method and its applications in chemical process simulation are reviewed. Some development strategies and challenges in future research are also discussed.

Hierarchy-Based Team Software Process Simulation Model

According to the characteristic of Team Software Process （TSP）, it adopts a hierarchy-based model combined discrete event model with system dynamics model. This model represents TSP as form of two levels, the inner level embodies the continuity of the software process, the outer embodies the software development process by phases, and the structure and principle of the model is explained in detail, then formalization description of the model is offered. At last, an example is presented to demonstrate the simulation process and result. This model can simulate team software process from various angles, supervise and predict the software process. Also it can make the management of software development become more scientific and improve the quality of software.

Machine learning-based ionic liquids design and process simulation for CO_(2) separation from flue gas

Rational design of ionic liquids(ILs),which is highly dependent on the accuracy of the model used,has always been crucial for CO_(2)separation from flue gas.In this study,a support vector machine(SVM)model which is a machine learning approach is established,so as to improve the prediction accuracy and range of IL melting points.Based on IL melting points data with 600 training data and 168 testing data,the estimated average absolute relative deviations(AARD)and squared correlation coefficients(R^(2))are 3.11%,0.8820 and 5.12%,0.8542 for the training set and testing set of the SVM model,respectively.Then,through the melting points model and other rational design processes including conductor-like screening model for real solvents(COSMO-RS)calculation and physical property constraints,cyano-based ILs are obtained,in which tetracyanoborate[TCB]-is often ruled out due to incorrect estimation of melting points model in the literature.Subsequently,by means of process simulation using Aspen Plus,optimal IL are compared with excellent IL reported in the literature.Finally,1-ethyl-3-methylimidazolium tricyanomethanide[EMIM][TCM]is selected as a most suitable solvent for CO_(2)separation from flue gas,the process of which leads to 12.9%savings on total annualized cost compared to that of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide[EMIM][Tf_(2)N].

A comparative process simulation study of Ca-Cu looping involving post-combustion CO2 capture

This work presents a simulation study of several Ca-Cu looping variants with CO(2)capture,aiming at both parameter optimization and exergy analysis of these Ca-Cu looping systems.Three kinds of Ca-Cu looping are considered:(1)carbonation-calcination/reduction-oxidation;(2)carbonation-oxidation-calcination/reduction and (3)carbona tion/oxidation-calcination/reduction.A conventional Ca looping is also simulated for comparison.The influences of the calcination temperature on the mole fractions of CO(2)and CaO at the calciner outlet,the CaCO3 flow rate on the carbonator performance and the Cu/Ca ratio on the calciner performance are analyzed.The second kind of Ca-Cu looping has the highest carbonation conversion.At 1×10^5 Pa and 820℃,complete decomposition of CaCO3 can be achieved in three Ca-Cu looping systems,while the operation condition of 1×10^5 Pa,840℃is required for the conventional Ca looping system.Furthermore,the Cu/Ca molar ratio of 5.13-5.19 is required for the Ca-Cu looping.Exergy analyses show that the maximum exergy destruction occurs in the calciner for the four modes and the second Ca-Cu looping system(i.e.,carbonation-oxidation-calcination/reduction)performs the highest exergy efficiency,up to 65.04%,which is about 30%higher than that of the conventional Ca looping.

Intensification of Ethylene Production from Naphtha via a Redox Oxy-Cracking Scheme： Process Simulations and Analysis

Ethylene production by the thermal cracking of naphtha is an energy-intensive process （up to 40 GJ heat per tonne ethylene）, leading to significant formation of coke and nitrogen oxide （NOx）, along with 1,8- 2 kg of carbon dioxide （CO2） emission per kilogram of ethylene produced, We propose an alternative pro- cess for the redox oxy-cracking （ROC） of naphtha, In this two-step process, hydrogen （H2） from naphtha cracking is selectively comhusted by a redox catalyst with its lattice oxygen first, The redox catalyst is subsequently re-oxidized by air and releases heat, which is used to satisfy the heat requirement for the cracking reactions, This intensified process reduces parasitic energy consumption and CO2 and NOx emissions, Moreover, the formation of ethylene and propylene can he enhanced due to the selective com-bustion of H2, In this study, the ROC process is simulated with ASPEN Plus^R based on experimental data from recently developed redox catalysts, Compared with traditional naphtha cracking, the ROC process can provide up to 52% reduction in energy consumption and CO2 emissions, The upstream section of the process consumes approximately 67% less energy while producing 28% more ethylene and propylene for every kilogram of naphtha feedstock,

Parallel algorithm of solidification process simulation for large-sized system of liquid metal atoms

A parallel arithmetic program for the molecular dynamics (MD) simulation study of a large sized system consisting of 50 000100 000 atoms of liquid metals is reformed, based on the cascade arithmetic program used for the molecular dynamics simulation study of a small sized system consisting of 5001 000 atoms. The program is used to simulate the rapid solidification processes of liquid metal Al system. Some new results, such as larger clusters composed of more than 36 smaller clusters (icosahedra or defect icosahedra) obtained in the system of 50 000 atoms, however, the larger clusters can not be seen in the small sized system of 5001 000 atoms. On the other hand, the results from this simulation study would be more closed to the real situation of the system under consideration because the influence of boundary conditions is decreased remarkably. It can be expected that from the parallel algorithm combined with the higher performance super computer, the total number of atoms in simulation system can be enlarged again up to tens, even hundreds times in the near future.

Multivariate stationary non-Gaussian process simulation for wind pressure fields

Stochastic simulation is an important means of acquiring fluctuating wind pressures for wind induced response analyses in structural engineering. The wind pressure acting on a large-span space structure can be characterized as a stationary non-Gaussian field. This paper reviews several simulation algorithms related to the Spectral Representation Method （SRM） and the Static Transformation Method （STM）. Polynomial and Exponential transformation functions （PSTM and ESTM） are discussed. Deficiencies in current algorithms, with respect to accuracy, stability and efficiency, are analyzed, and the algorithms are improved for better practical application. In order to verify the improved algorithm, wind pressure fields on a large-span roof are simulated and compared with wind tunnel data. The simulation results fit well with the wind tunnel data, and the algorithm accuracy, stability and efficiency are shown to be better than those of current algorithms.

Feasibility analysis and process simulation of CO_(2) dehydration using triethylene glycol for CO_(2) pipeline transportation

The operation of dehydration is very important in the process of gas transportation. This study aims to evaluate the application feasibility of CO_(2) dehydration using triethylene glycol, which is also called TEG for short. Aspen Plus software was used to simulate the dehydration process system of CO_(2) gas transportation using TEG dehydration. Parameter analysis and process improvement were carried out for the simulation of dehydration process. At first, a sensitivity analysis was conducted to analyze and optimize operating conditions of conventional CO_(2)-TEG dehydration process system. Subsequently, a recycle unit was introduced into the conventional CO_(2)-TEG dehydration process system, it can be found that the improved process system with the recycle unit has a higher CO_(2) recovery rate which was about 9.8% than the conventional one. Moreover, the improved process system showed excellent operation stability through the comparison of simulation results of several processes with various water contents in their feed gases. Although the energy consumption is increased by about 2%, the improved process was economically and technically feasible for the long-term availability of CO_(2) pipeline transportation. The simulated results showed that the improved CO_(2)-TEG process system has promising application prospects in CO_(2) dehydration of CO_(2) gas transportation with high stability.

Vapor-Liquid Equilibrium of Ethylene ＋ Mesitylene System and Process Simulation for Ethylene Recovery

The amount of ethylene in refinery off-gas is high with a mass fraction of 20%,but the refinery off-gas is usually used as fuel gas in most refineries.The separation and recovery of ethylene is of remarkable significance for saving energy and reducing carbon dioxide emission.The aim of this paper is to use a novel absorbent mesitylene for the ethylene absorption process and assess its application feasibility through the ethylene + mesitylene vapor-liquid equilibrium data measurement and its binary interaction parameter correlation,as well as the simulation for ethylene separation process.

Big Data Application Simulation Platform Design for Onboard Distributed Processing of LEO Mega-Constellation Networks

Due to the restricted satellite payloads in LEO mega-constellation networks(LMCNs),remote sensing image analysis,online learning and other big data services desirably need onboard distributed processing(OBDP).In existing technologies,the efficiency of big data applications(BDAs)in distributed systems hinges on the stable-state and low-latency links between worker nodes.However,LMCNs with high-dynamic nodes and long-distance links can not provide the above conditions,which makes the performance of OBDP hard to be intuitively measured.To bridge this gap,a multidimensional simulation platform is indispensable that can simulate the network environment of LMCNs and put BDAs in it for performance testing.Using STK's APIs and parallel computing framework,we achieve real-time simulation for thousands of satellite nodes,which are mapped as application nodes through software defined network(SDN)and container technologies.We elaborate the architecture and mechanism of the simulation platform,and take the Starlink and Hadoop as realistic examples for simulations.The results indicate that LMCNs have dynamic end-to-end latency which fluctuates periodically with the constellation movement.Compared to ground data center networks(GDCNs),LMCNs deteriorate the computing and storage job throughput,which can be alleviated by the utilization of erasure codes and data flow scheduling of worker nodes.

Process Optimization of Cu-en/AP Composite Microspheres Preparation by Electrostatic Spray Method Based on ANSYS Simulation

To investigate the process optimizationof Cu-en/AP composite microspheres preparation via electrostatic spraying,and to reveal the effects of droplet properties and flow rate variations on the experimental results during the electrostatic spraying process,the prepared process parameters of Cu-en/AP composite microspheres by electrostatic spray method under the orthogonal experimental design simulated by ANSYS(Fluent).The influence of flow rate,solvent ratio,and solid mass on the experimental results is examined using a controlled variable method.The results indicate that under the conditions of a flow rate of 2.67×10^(-3)kg/s an acetone-to-deionized water ratio of 1.5∶1.0,and a solid mass of 200 mg,the theoretical particle size of the composite microspheres can reach e nanoscale.Droplet trajectories in the electric field remain stable without significant deviation.The simulation results show that particle diameter decreases with increasing flow rate,with the trend leveling off around a flow rate of 1×10^(-3)kg/s.As the solvent ratio increases(with higher acetone content),particle diameter initially decreases,reaching a minimum around a ratio of 1.5∶1.0 before gradually increasing.Increasing the solid mass also reduces the particle diameter,with a linear increase in diameter observed at around 220 mg.Cu-en/AP composite microspheres with nanoscale dimensions were confirmed under these conditions by the final SEM images.

Simulation of Fracture Process of Lightweight Aggregate Concrete Based on Digital Image Processing Technology

The mechanical properties and failure mechanism of lightweight aggregate concrete(LWAC)is a hot topic in the engineering field,and the relationship between its microstructure and macroscopic mechanical properties is also a frontier research topic in the academic field.In this study,the image processing technology is used to establish a micro-structure model of lightweight aggregate concrete.Through the information extraction and processing of the section image of actual light aggregate concrete specimens,the mesostructural model of light aggregate concrete with real aggregate characteristics is established.The numerical simulation of uniaxial tensile test,uniaxial compression test and three-point bending test of lightweight aggregate concrete are carried out using a new finite element method-the base force element method respectively.Firstly,the image processing technology is used to produce beam specimens,uniaxial compression specimens and uniaxial tensile specimens of light aggregate concrete,which can better simulate the aggregate shape and random distribution of real light aggregate concrete.Secondly,the three-point bending test is numerically simulated.Thirdly,the uniaxial compression specimen generated by image processing technology is numerically simulated.Fourth,the uniaxial tensile specimen generated by image processing technology is numerically simulated.The mechanical behavior and damage mode of the specimen during loading were analyzed.The results of numerical simulation are compared and analyzed with those of relevant experiments.The feasibility and correctness of the micromodel established in this study for analyzing the micromechanics of lightweight aggregate concrete materials are verified.Image processing technology has a broad application prospect in the field of concrete mesoscopic damage analysis.

MicroMagnetic.jl:A Julia package for micromagnetic and atomistic simulations with GPU support

MicroMagnetic.jl is an open-source Julia package for micromagnetic and atomistic simulations.Using the features of the Julia programming language,MicroMagnetic.jl supports CPU and various GPU platforms,including NVIDIA,AMD,Intel,and Apple GPUs.Moreover,MicroMagnetic.jl supports Monte Carlo simulations for atomistic models and implements the nudged-elastic-band method for energy barrier computations.With built-in support for double and single precision modes and a design allowing easy extensibility to add new features,MicroMagnetic.jl provides a versatile toolset for researchers in micromagnetics and atomistic simulations.

Molecular simulation study of the stabilization process of NEPE propellant

In this reported study, the density functional theory(DFT) was used at the(U)B3LYP/6-311G(d,p) level to investigate the stabilization process of the nitrate ester plasticized polyether propellant(NEPE). Molecular simulations were conducted of the reaction that generates NO_(2), the autocatalytic and aging reaction triggered by the NO_(2), and the nitrogen dioxide absorption reaction of the stabilizers during the propellent stabilization process. These simulations were derived using the transition-state theory(TST)and variational transition-state theory(VTST). The simulation results suggested that the stabilization of the NEPE propellant consisted of three stages. First, heat and NO_(2) were generated during the denitrification reaction of nitroglycerine(NG) and 1,2,4-butanetriol trinitrate(BTTN) in the NEPE propellant.Second, nitroso products were generated by the reactions of N-Methyl-4-nitroaniline(MNA) and 2-nitrodiphenylamine(2NDPA) with NO_(2). Third, the stabilizers were exhausted and the autocatalytic reaction of NG and BTTN and the aging reaction of polyethylene glycol(PEG) were triggered by the heat and NO_(2)generated in the first stage. By comparing the energy barriers of the various reactions, it was found that the NO_(2)generated from the denitrification reaction significantly reduced the reaction energy barrier to 105.56-126.32 kJ/mol, also increased the reaction rate constant, and decreased the thermal stability and energetic properties of the NEPE propellant. In addition, the NO_(2)also weakened the mechanical properties of the NEPE propellant by attacking the-CH2groups and the O atoms in the PEG molecular chain. The energy barriers of the reactions of MNA and 2NDPA with NO_(2)(94.61-133.61 k J/mol) were lower than those of the autocatalytic and decomposition reactions of NG, BTTN, and the aging reactions of PEG(160.30-279.46 kJ/mol). This indicated that, by eliminating NO_(2), the stabilizer in the NEPE propellant can effectively prevent NO_(2)from reacting with the NG, BTTN, and PEG in the NEPE propellant. Consequently, this would help maintain the energy and mechanical properties of the NEPE propellant, thereby improving its thermal stability.

Three-dimensional finite element simulation and reconstruction of jointed rock models using CT scanning and photogrammetry

The geometry of joints has a significant influence on the mechanical properties of rocks.To simplify the curved joint shapes in rocks,the joint shape is usually treated as straight lines or planes in most laboratory experiments and numerical simulations.In this study,the computerized tomography (CT) scanning and photogrammetry were employed to obtain the internal and surface joint structures of a limestone sample,respectively.To describe the joint geometry,the edge detection algorithms and a three-dimensional (3D) matrix mapping method were applied to reconstruct CT-based and photogrammetry-based jointed rock models.For comparison tests,the numerical uniaxial compression tests were conducted on an intact rock sample and a sample with a joint simplified to a plane using the parallel computing method.The results indicate that the mechanical characteristics and failure process of jointed rocks are significantly affected by the geometry of joints.The presence of joints reduces the uniaxial compressive strength (UCS),elastic modulus,and released acoustic emission (AE) energy of rocks by 37%–67%,21%–24%,and 52%–90%,respectively.Compared to the simplified joint sample,the proposed photogrammetry-based numerical model makes the most of the limited geometry information of joints.The UCS,accumulative released AE energy,and elastic modulus of the photogrammetry-based sample were found to be very close to those of the CT-based sample.The UCS value of the simplified joint sample (i.e.38.5 MPa) is much lower than that of the CT-based sample (i.e.72.3 MPa).Additionally,the accumulative released AE energy observed in the simplified joint sample is 3.899 times lower than that observed in the CT-based sample.CT scanning provides a reliable means to visualize the joints in rocks,which can be used to verify the reliability of photogrammetry techniques.The application of the photogrammetry-based sample enables detailed analysis for estimating the mechanical properties of jointed rocks.

Chemical simulation teaching system based on virtual reality and gesture interaction

Background Most existing chemical experiment teaching systems lack solid immersive experiences,making it difficult to engage students.To address these challenges,we propose a chemical simulation teaching system based on virtual reality and gesture interaction.Methods The parameters of the models were obtained through actual investigation,whereby Blender and 3DS MAX were used to model and import these parameters into a physics engine.By establishing an interface for the physics engine,gesture interaction hardware,and virtual reality(VR)helmet,a highly realistic chemical experiment environment was created.Using code script logic,particle systems,as well as other systems,chemical phenomena were simulated.Furthermore,we created an online teaching platform using streaming media and databases to address the problems of distance teaching.Results The proposed system was evaluated against two mainstream products in the market.In the experiments,the proposed system outperformed the other products in terms of fidelity and practicality.Conclusions The proposed system which offers realistic simulations and practicability,can help improve the high school chemistry experimental education.

Image processing based three-dimensional model reconstruction for cross-platform numerical simulation

Numerical simulation is the most powerful computational and analysis tool for a large variety of engineering and physical problems.For a complex problem relating to multi-field,multi-process and multi-scale,different computing tools have to be developed so as to solve particular fields at different scales and for different processes.Therefore,the integration of different types of software is inevitable.However,it is difficult to perform the transfer of the meshes and simulated results among software packages because of the lack of shared data formats or encrypted data formats.An image processing based method for three-dimensional model reconstruction for numerical simulation was proposed,which presents a solution to the integration problem by a series of slice or projection images obtained by the post-processing modules of the numerical simulation software.By means of mapping image pixels to meshes of either finite difference or finite element models,the geometry contour can be extracted to export the stereolithography model.The values of results,represented by color,can be deduced and assigned to the meshes.All the models with data can be directly or indirectly integrated into other software as a continued or new numerical simulation.The three-dimensional reconstruction method has been validated in numerical simulation of castings and case studies were provided in this study.

Simulation Research on the Effect of Spreading Process Parameters on the Quality of Lunar Regolith Powder Bed in Additive Manufacturing

Lunar surface additive manufacturing with lunar regolith is a key step in in-situ resource utilization.The powder spreading process is the key process,which has a major impact on the quality of the powder bed and the precision of molded parts.In this study,the discrete element method(DEM)was adopted to simulate the powder spreading process with a roller.The three powder bed quality indicators,including the molding layer offset,voidage fraction,and surface roughness,were established.Besides,the influence of the three process parameters,which are roller’s translational speed,rotational speed,and powder spreading layer thickness on the powder bed quality indicators was also analyzed.The results show that with the reduction of the powder spreading layer thickness and the increase of the rotational speed,the offset increased significantly;when the translational speed increased,the offset first increased and then decreased,which resulted in an extreme value;with the increase of the layer thickness and the decrease of the translational speed,the values for voidage fraction and surface roughness significantly reduced.The powder bed quality indicators were adopted as the optimization objective,and the multi-objective parameter optimization was carried out.The predicted optimal powder spreading parameters and powder bed quality indicators were then obtained.Moreover,the optimal values were then verified.This study can provide informative guidance for in-situ manufacturing at the moon in future deep space exploration missions.

Differences between physical and human process simulation in geography： Empirical analysis of two cases

Physical geography and human geography are the principal branches of the geographical sciences. Physical process simulation and human process simulation in geography are both quantitative methods used to recover past events and even to forecast events based on precisely determined parameters. There are four differences between physical process simulation and human process simulation in geography, which we summarize with two specific cases, one of which is about a typhoon＇s development and its precipitation, and the other of which is regarding the evolution of three industrial structures in China. The differences focus on four aspects： the main factors of the research framework; the knowledge back-ground of the systematic analysis framework; the simulation data sources and quantitative method; and the core of the study object and the method of forecast application. As the human-land relationship is the key ideology of the man-land system, the relationship between the physical and human factors is becoming increasingly close at present. Physical process simulation and human process simulation in geography will exhibit crossing and blending in the future to reflect the various geographical phenomena better.