Molecular insight into the GaP(110)-water interface using machine learning accelerated molecular dynamics

GaP has been shown to be a promising photoelectrocatalyst for selective CO_(2)reduction to methanol.Due to the relevance of the interface structure to important processes such as electron/proton transfer,a detailed understanding of the GaP(110)-water interfacial structure is of great importance.Ab initio molecular dynamics(AIMD)can be used for obtaining the microscopic information of the interfacial structure.However,the GaP(110)-water interface cannot converge to an equilibrated structure at the time scale of the AIMD simulation.In this work,we perform the machine learning accelerated molecular dynamics(MLMD)to overcome the difficulty of insufficient sampling by AIMD.With the help of MLMD,we unravel the microscopic information of the structure of the GaP(110)-water interface,and obtain a deeper understanding of the mechanisms of proton transfer at the GaP(110)-water interface,which will pave the way for gaining valuable insights into photoelectrocatalytic mechanisms and improving the performance of photoelectrochemical cells.

THE DESIGN AND ANALYSIS OF VIBRATION STRUCTURE OF VERTICAL DYNAMIC BALANCING MACHINE

A new type of vibration structure (i.e. supporting system, called swing frame cus- tomarily) of vertical dynamic balancing machine has been designed, which is based on an analysis for the swing frame of a traditional double-plane vertical dynamic balancing machine. The static unbalance and couple unbalance can be e?ectively separated by using the new dynamic balancing machine with the new swing frame. By building the dynamics model, the advantages of the new structure are discussed in detail. The modal and harmonic response are analyzed by using the ANSYS7.0. By comparing the ?nite element modal analysis with the experimental modal analy- sis, the natural frequencies and vibration modes are found. There are many spring boards in the new swing frame. Their sti?nesses are di?erent and assorted with each other. Furthermore, there are three sensors on the measuring points. Therefore, the new dynamic balancing machine can measure static unbalance and coupling unbalance directly, and the interaction between them is faint. The result shows that the new vertical dynamic balancing machine is suitable for inertial measurement of ?ying objects, and can overcome the shortcomings of traditional double-plane vertical dynamic balancing machines, which the e?ect of plane-separation is inferior. The vertical dynamic balancing machine with the new vibration structure can ?nd wide application in the future. The modelling and analysis of the new vibration structure will provide theoretical basis and practical experience for designing new-type vertical dynamic balancing machines.

Parallel Molecular Dynamics on the Connection Machines

Abstract Abstract:We have demonstrated using vectorized parallel Lennard-Jones fluid program that vectorizing general-purpose parallel molecular package for simulating biomolecules which currently runs on the Connection Machine CM-5 using CMMD message passing would offer a significant improvement over 4 non-vectorized version. Our results indicate that the Lennard-Jones fluid program written in C*/CMNID is five times faster than the same program written in C/CMMD.

Multiway Dynamic Trust Chain Model on Virtual Machine for Cloud Computing

This paper sums up four security factors after analyzing co-residency threats caused by the special multitenant environment in the cloud.To secure the factors,a multiway dynamic trust chain transfer model was proposed on the basis of a measurement interactive virtual machine and current behavior to protect the integrity of the system.A trust chain construction module is designed in a virtual machine monitor.Through dynamic monitoring,it achieves the purpose of transferring integrity between virtual machine.A cloud system with a trust authentication function is implemented on the basis of the model,and its practicability is shown.

A novel domain decomposition-based model for efficient dynamic predictions of large composite machine tools

We propose a large combined moving component composed of carbon fiber reinforced polymer(CFRP)laminates for making lightweight machine tools with high dynamic performance.The accurate dynamic prediction of composite machine tools is essential for the new generation machine tool.This paper aims to address two challenges in numerical dynamic modeling and the design of composite machine tools to enhance development efficiency.(1)Anisotropic composite laminates,which form the composite machine tool,exhibit coupling in various directions.We propose the generalized continuity condition of the boundary to tackle this dynamic modeling challenge.(2)Composite machine tools feature numerous composite-metal coupled structures.The mechanical model correction of isotropic metals is performed to address their dynamics.We take the example of a five-axis gantry machine tool with composite moving parts,establish a dynamic model for efficient prediction,and verify it through simulation and experimentation.The proposed method yields remarkable results,with an average relative error of only 3.85%in modal frequency prediction and a staggering 99.7%reduction in solution time compared to finite element analysis.We further discuss the dynamic performance of the machine tool under varied stacking angles and layer numbers of the composite machine tool.We propose general design criteria for composite machine tools to consider the modal frequency and manufacturing cost of machine tools.

Water structures and anisotropic dynamics at Pt(211)/water interface revealed by machine learning molecular dynamics

Water molecules at solid–liquid interfaces play a pivotal role in governing interfacial phenomena that underpin electrochemical and catalytic processes.The organization and behavior of these interfacial water molecules can significantly influence the solvation of ions,the adsorption of reactants,and the kinetics of electrochemical reactions.The stepped structure of Pt surfaces can alter the properties of the interfacial water,thereby modulating the interfacial environment and the resulting surface reactivity.Revealing the in situ details of water structures at these stepped Pt/water interfaces is crucial for understanding the fundamental mechanisms that drive diverse applications in energy conversion and material science.In this work,we have developed a machine learning potential for the Pt(211)/water interface and performed machine learning molecular dynamics simulations.Our findings reveal distinct types of chemisorbed and physisorbed water molecules within the adsorbed layer.Importantly,we identified three unique water pairs that were not observed in the basal plane/water interfaces,which may serve as key precursors for water dissociation.These interfacial water structures contribute to the anisotropic dynamics of the adsorbed water layer.Our study provides molecular-level insights into the anisotropic nature of water behavior at stepped Pt/water interfaces,which can influence the reorientation and distribution of intermediates,molecules,and ions—crucial aspects for understanding electrochemical and catalytic processes.

ANALYSIS OF METHOD FOR DETERMINING AZIMUTH OF PRINCIPAL AXIS OF INERTIA BASED ON DYNAMIC BALANCE MEASUREMENT

The dynamic balance quality of a rotating object is an important factor to maintain the stability and accuracy for motion. The azimuth of the principal axis of inertia is a major sign of dynamic balance. A usual method is measuring moment of inertia matrix relative to some base coordinates on a rotary inertia machine so as to calculate the azimuth of principal axis of inertia, By using the measured unbalance results on the two trimmed planes on a vertical hard bearing double-plane dynamic balancing machine, the dimension and direction of couple unbalance can be found. An azimuth angle formula for the principal axis of inertia is derived and is solved by using unbalance quantities. The experiments indicate that method based on dynamic balancing measurement is proved rational and effective and has a fine precision.

Dynamic torque response analysis of IPMSM in flux weakening region for HEV applications

An over-modulation based vector control strategy for interior permanent magnet synchronous machine（ IPMSM） is proposed and investigated. The strategy increases the reference flux weakening voltage to improve efficiency in flux weakening region of IPMSMwith the same dynamic torque response performance in standard SV Mtechnique. The relationship between dynamic torque performance and the reference flux weakening voltage is also discussed. In order to achieve fast and smooth shift process,the torque response must be less than 20 ms in the parallel hybrid electric vehicle（ HEV）,according to this,modeling and experimental studies were carried out. The results show that the proposed strategy can achieve the same dynamic and steady state torque performance with higher reference flux weakening voltage,which means higher efficiency.

Machining dynamics and chatters in micro-milling:A critical review on the state-of-the-art and future perspectives

Micro-milling technology is widely applied in micro manufacturing,particularly for the fabrication of miniature and micro components.However,the chatters and machining dynamics related issues in micro-milling are often the main challenges restricting its machining quality and productivity.Many research works have rendered that the machining dynamics and chatters in micro-milling are more complex compared with the conventional macro-milling process,likely because of the size effect and rigidity of the micro-milling system including the tooling,workpiece,process variables,materials involved,and the high-speed milling machines,and further their collective dynamic effects.Therefore,in this paper,the state of the art focusing on micro-milling chatters and dynamics related issues over the past years are comprehensively and critically reviewed to provide some insights for potential researchers and practitioners.Firstly,typical applications and the problems caused by the machining dynamics and chatters in micro-milling have been put forward in this paper.Then,the research on the underlying micro-cutting mechanics and dynamics,stability analysis,chatters detection,and chatter suppression are summarized critically.Furthermore,the underlying scientific and technological challenges are discussed particularly against typical precision engineering applications.Finally,the possible future directions and trends in research and development of micro-milling have been discussed.

Modeling and Analytical Solution of Chatter Stability for T-slot Milling

T-slot milling is one of the most common milling processes in industry. Despite recent advances in machining technology, productivity of T-slot milling is usually limited due to the process limitations such as high cutting forces and stability. If cutting conditions are not selected properly the process may result in the poor surface finish of the workpiece and the potential damage to the machine tool. Currently, the predication of chatter stability and determination of optimal cutting conditions based on the modeling of T-slot milling process is an effective way to improve the material removal rate（MRR） of a T-slot milling operation. Based on the geometrical model of the T-slot cutter, the dynamic cutting force model was presented in which the average directional cutting force coefficients were obtained by means of numerical approach, and leads to an analytical determination of stability lobes diagram（SLD） on the axial depth of cut. A new kind of SLD on the radial depth of cut was also created to satisfy the special requirement of T-slot milling. Thereafter, a dynamic simulation model of T-slot milling was implemented using Matlab software. In order to verify the effectiveness of the approach, the transfer functions of a typical cutting system in a vertical CNC machining center were measured in both feed and normal directions by an instrumented hammer and accelerators. Dynamic simulations were conducted to obtain the predicated SLD under specified cutting conditions with both the proposed model and CutPro~. Meanwhile, a set of cutting trials were conducted to reveal whether the cutting process under specified cutting conditions is stable or not. Both the simulation comparison and experimental verification demonstrated that the satisfactory coincidence between the simulated, the predicted and the experimental results. The chatter-free T-slot milling with higher MRR can be achieved under the cutting conditions determined according to the SLD simulation.

Time series prediction of mining subsidence based on a SVM

In order to study dynamic laws of surface movements over coal mines due to mining activities,a dynamic prediction model of surface movements was established,based on the theory of support vector machines(SVM) and times-series analysis.An engineering application was used to verify the correctness of the model.Measurements from observation stations were analyzed and processed to obtain equal-time interval surface movement data and subjected to tests of stationary,zero means and normality.Then the data were used to train the SVM model.A time series model was established to predict mining subsidence by rational choices of embedding dimensions and SVM parameters.MAPE and WIA were used as indicators to evaluate the accuracy of the model and for generalization performance.In the end,the model was used to predict future surface movements.Data from observation stations in Huaibei coal mining area were used as an example.The results show that the maximum absolute error of subsidence is 9 mm,the maximum relative error 1.5%,the maximum absolute error of displacement 7 mm and the maximum relative error 1.8%.The accuracy and reliability of the model meet the requirements of on-site engineering.The results of the study provide a new approach to investigate the dynamics of surface movements.

Research on fault detection method for heat pump air conditioning system under cold weather

Building energy consumption accounts for nearly 40% of global energy consumption, HVAC （Heating, Ventilating, and Air Conditioning） systems are the major building energy consumers, and as one type of HVAC systems, the heat pump air conditioning system, which is more energy-efficient compared to the traditional air conditioning system, is being more widely used to save energy. However, in northern China, extreme climatic conditions increase the cooling and heating load of the heat pump air conditioning system and accelerate the aging of the equipment, and the sensor may detect drifted parameters owing to climate change. This non-linear drifted parameter increases the false alarm rate of the fault detection and the need for unnecessary troubleshooting. In order to overcome the impact of the device aging and the drifted parameter, a Kalman filter and SPC （statistical process control） fault detection method are introduced in this paper. In this method, the model parameter and its standard variance can he estimated by Kalman filter based on the gray model and the real-time data of the air conditioning system. Further, by using SPC to construct the dynamic control limits, false alarm rate is reduced. And this paper mainly focuses on the cold machine failure in the component failure and its soft fault detection. This approach has been tested on a simulation model of the ＂Sino-German Energy Conservation Demonstration Center＂ building heat pump air-conditioning system in Shenyang, China, and the results show that the Kalman filter and SPC fault detection method is simple and highly efficient with a low false alarm rate, and it can deal with the difficulties caused by the extreme environment and the non-linear influence of the parameters, and what＇s more, it provides a good foundation for dynamic fault diagnosis and fault prediction analysis.

A MACHINE OPERATOR OR A DYNAMIC STIMULATOR:—MAKE YOUR VIDEO CLASS INTERACTIVE

An analysis of the different types of interaction taking place during a video-class shows thatcommunicative methods stimulate the students’ language learning.Thus video becomes a useful languagelearning tool.

I-Neat:An Intelligent Framework for Adaptive Virtual Machine Consolidation

With the increasing use of cloud computing,high energy consumption has become one of the major challenges in cloud data centers.Virtual Machine(VM)consolidation has been proven to be an efficient way to optimize energy consumption in data centers,and many research works have proposed to optimize VM consolidation.However,the performance of different algorithms is related with the characteristics of the workload and system status;some algorithms are suitable for Central Processing Unit(CPU)-intensive workload and some for web application workload.Therefore,an adaptive VM consolidation framework is necessary to fully explore the potential of these algorithms.Neat is an open-source dynamic VM consolidation framework,which is well integrated into OpenStack.However,it cannot conduct dynamic algorithm scheduling,and VM consolidation algorithms in Neat are few and basic,which results in low performance for energy saving and Service-Level Agreement(SLA)avoidance.In this paper,an Intelligent Neat framework(I-Neat)is proposed,which adds an intelligent scheduler using reinforcement learning and a framework manager to improve the usability of the system.The scheduler can select appropriate algorithms for the local manager from an algorithm library with many load detection algorithms.The algorithm library is designed based on a template,and in addition to the algorithms of Neat,I-Neat adds six new algorithms to the algorithm library.Furthermore,the framework manager helps users add self-defined algorithms to I-Neat without modifying the source code.Our experimental results indicate that the intelligent scheduler and these novel algorithms can effectively reduce energy consumption with SLA assurance.

Use of inverse stability solutions for identification of uncertainties in the dynamics of machining processes

Research on dynamics and stability of machin-ing operations has attracted considerable attention. Cur-rently, most studies focus on the forward solution ofdynamics and stability in which material properties and thefrequency response function at the tool tip are known topredict stable cutting conditions. However, the forwardsolution may fail to perform accurately in cases whereinthe aforementioned information is partially known or var-ies based on the process conditions, or could involve sev-eral uncertainties in the dynamics. Under thesecircumstances, inverse stability solutions are immenselyuseful to identify the amount of variation in the effectivedamping or stiffness acting on the machining system. Inthis paper, the inverse stability solutions and their use forsuch purposes are discussed through relevant examples andcase studies. Specific areas include identification of processdamping at low cutting speeds and variations in spindledynamics at high rotational speeds.

Research on the nanometric machining of a single crystal nickel via molecular dynamics simulation

Molecular dynamics simulations are employed to study the nanometric machining process of single crystal nickel. Atoms from different machining zones had different atomic crystal structures owing to the differences in the actions of the cutting tool. The stacking fault tetrahedral was formed by a series of dislocation reactions, and it maintained the stable structure after the dislocation reactions. In addition, evidence of crystal transition and recovery was found by analyzing the number variations in different types of atoms in the primary shear zone, amorphous region, and crystalline region. The effects of machining speed on the cutting force, chip and subsurface defects, and temperature of the contact zone between the tool and workpiece were investigated. The results suggest that higher the machining speed, larger is the cutting force. The degree of amorphousness of chip atoms and the depth and extent of subsurface defects increase with the machining speed. The average friction coefficient first decreases and then increases with the machining speed because of the temperature difference between the chip and machining surface.

Kinetic Characteristics Analysis of Aircraft During Heavy Cargo Airdrop

Airdrop is the most important approach for crisis transaction and unexpected events, it is necessary to investigate the flight characteristics of transport aircraft during the dropping process. This paper mainly focuses on the stability, controllability and model simplification of large aircraft with heavy cargo airdrop. In this process, the primary elements which have impact on force and moment are studied theoretically, the role of cargo mass, moving parameters and other factors on dynamical characteristics have been assessed by simulation and analysis. And then the aircraft model simplification is completed for control system designing in future.All the work above shows that the parameters of cargo moving play a dominant role in flight characteristics and the flight equations can be simplified to reduce the design complexity.

A review of recent advances in machining techniques of complex surfaces

Complex surfaces are widely used in aerospace,energy,and national defense industries.As one of the major means of manufacturing such as complex surfaces,the multi-axis numerical control(NC)machining technique makes much contribution.When the size of complex surfaces is large or the machining space is narrow,the multi-axis NC machining may not be a good choice because of its high cost and low dexterity.Robotic machining is a beneficial supplement to the NC machining.Since it has the advantages of large operating space,good dexterity,and easy to realize parallel machining,it is a promising technique to enhance the capability of traditional NC machining.However,whether it is the multi-axis NC machining or the robotic machining,owing to the complex geometric properties and strict machining requirements,high-efficiency and high-accuracy machining of complex surfaces has always been a great challenge and remains a cutting-edge problem in the current manufacturing field.In this paper,by surveying the machining of complex parts and large complex surfaces,the theory and technology of high-efficiency and high-accuracy machining of complex surfaces are reviewed thoroughly.Then,a series of typical applications are introduced to show the state-of-the-art on the machining of complex surfaces,especially the recently developed industrial software and equipment.Finally,the summary and prospect of the machining of complex surfaces are addressed.To the best of our knowledge,this may be the first attempt to systematically review the machining of complex surfaces by the multiaxis NC and robotic machining techniques,in order to promote the further research in related fields.