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31 results about "Interaction potential" patented technology
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The interaction potential is the potential of transmitting energy between 2 pilitrons next to each other.
License plate recognition method and system under complicated illumination
ActiveCN103530600ASolving recognition problemsImprove recognition rateCharacter and pattern recognitionCorrelation functionInteraction potential
The invention provides a license plate recognition method and system under complicated illumination. The method comprises: a license plate is positioned and character segmentation is performed on multiple candidate positions; a probability value of each character segmentation position in the segmented candidate positions is obtained via a pre-constructed probabilistic graphical model, a correlation potential function and an interaction potential function; and then the optimized segmented position of characters is obtained according to the probability value. License plate recognition problem in a complicated illumination environment can be solved by the license plate recognition method and system under complicated illumination so that license plate recognition rate is enhanced.
Owner:NEUSOFT CORP
Graphics processing unit based discrete simulation computation method of multicomponent system
InactiveCN101727653ASolve inefficiencyImprove computing efficiencyImage data processing detailsGraphicsComputational science
The invention relates to a graphics processing unit based discrete simulation computation method of a multicomponent system, which is realized on a parallel computation system comprising multiple computation nodes, wherein the computation nodes are provided with graphics processing units (GPU). The discrete simulation computation method comprises the following steps of: decomposing the space of the multicomponent system to be simulated; establishing the mapping relationship between granules and grids inside the multicomponent system; (3) distributing the information of the granules to thread blocks inside the GPUs arranged on the multiple computation nodes, and storing the interaction potential parameters and the simulation setting information of the granules into internal storages of the GPUs; computing acting force born by the granules on the GPUs, and updating the speed and the positions of the granules according to the acting force; and before the simulation of the multicomponent system is completed, repeating executing steps completed in the GPUs till a simulated result is output from the parallel computation system after the simulation is completed. The invention solves the problem of low efficiency caused by selection when the GPUs compute multiple interaction potentials and greatly enhances the computation efficiency compared with a CPU.
Owner:INST OF PROCESS ENG CHINESE ACAD OF SCI
Human skeleton joint point behavior motion expression method based on energy function
InactiveCN105912985ASolving Quantitative Representation ProblemsImprove accuracyCharacter and pattern recognitionHuman bodyHuman behavior
The invention relates to a human skeleton joint point behavior motion expression method based on the energy function. According to the method, firstly, the position information of human skeleton joint points is acquired through the video equipment; secondly, the kinetic energy and the potential energy of each human skeleton joint point and the interaction potential energy information of a figure are calculated, and human motion characteristics are expressed quantitatively; human behavior video sequence division is carried out through adjacent frame merging, adjacent frame merging is carried out on the basis of energy similarity of two adjacent frames, energy values of the two adjacent frames are calculated through human motion characteristics for comparison, when the similarity is smaller than the similarity threshold, the two frames of pictures belong to one division group, or the two frames of pictures belong to different motion division segments, and thereby multiple integral-motion-meaning sub motion video sequences are acquired. Through the method, video division accuracy and reliability can be greatly improved, and the method can be further applied to multiple aspects such as human motion identification and key frame extraction.
Owner:UNIV OF SHANGHAI FOR SCI & TECH
Piezoelectric coefficient detection method
InactiveCN102662111AAvoid accumulationReduce biasElectrical measurementsPulsed DCAlternating current
The invention discloses a piezoelectric coefficient detection method. In the method, after a loading pulse direct current voltage is adopted, a microcell piezoelectric coefficient of a sample is tested by utilizing an alternating current voltage signal, so that a piezoelectric coefficient of a nonlinear piezoelectric sample can be tested; and when a piezoelectric coefficient of a material is tested, a direct current voltage applied to a sample to be tested is stopped, and the piezoelectric coefficient of the sample to be tested is detected under each quasi-static direct current bias voltage, namely each direct current pulse, by utilizing the applied alternating current voltage, so that load is prevented from being accumulated on the surface of the sample to be tested in the test due to the applied direct current electric field so as not to make a probe cantilever generate induction potential, the positional deviation of the probe cantilever caused by the interaction potential of a pinpoint electric field and the surface of the sample to be tested is avoided; and therefore, deviation of an optical circuit of an atomic force microscope is eliminated, and the testing accuracy is improved.
Owner:UNIV OF ELECTRONICS SCI & TECH OF CHINA
Energy model based image semantic annotation method
InactiveCN104077352AHigh precisionAvoid semantic confusionImage analysisSemantic analysisPattern recognitionCo-occurrence
The invention discloses an energy model based image semantic annotation method. A full energy function of an original image under different regional image and semantic tag corresponding relationships is built according to regional image and semantic tag corresponding potentials and interaction potentials between semantic tags and the infusion is performed on the context information and the exterior information of the image through the full energy function. Compared with context object classification models in the prior art, wherein only the co-occurrence information between objects are utilized or only the fixed spatial relations and the simple frequency count methods are utilized in the context object classification models, the spatial structure information between the objects is fully utilized through the fuzzy spatial relations due to the full energy function and accordingly the semantic chaos is effectively avoided and the accuracy of the semantic annotation is improved.
Owner:ZHEJIANG UNIV
Protein folding parallel predicting method
InactiveCN105787292APolarization cannot be ignoredThe result is accurateSpecial data processing applicationsProtein structureAmino acid
The invention relates to a protein folding parallel predicting method. The method includes the following steps: obtaining different protein structures through molecular dynamics simulation; setting different temperatures, and obtaining more protein structures with different conformations; partitioning the protein structures with different conformations through a conjugate cap molecule partitioning method, decomposing amino acids from proteins, and wearing a conjugate cap on each amino acid; calculating out the electrostatic potential of molecular fragments through quantum mechanics software to fit out the electric charge of each atom in each amino acid molecular fragment, and updating the electric charge of atoms in a molecule force field. To research protein folding, the scheme of considering a protein polarization effect and a copy interchange-based method are organically integrated, and then two difficult problems of atom interaction potential and a sampling technique in dynamics simulation can be overcome in order to achieve a good effect in protein folding simulation.
Owner:DALIAN INST OF CHEM PHYSICS CHINESE ACAD OF SCI
Flat metal particle-containing composition and heat ray-shielding material
InactiveUS20110240905A1High light transmittanceGood light fastnessMaterial nanotechnologyTransportation and packagingChemical compoundMetal particle
A flat metal particle-containing composition including flat metal particles and a heterocyclic ring compound, wherein the heterocyclic ring compound has a silver interaction potential EAg which is lower than −1 mV.
Owner:FUJIFILM CORP
Inter-vehicle interaction potential based entrance ramp traffic flow model simulation method
InactiveCN106981193ADecrease the strength of the interaction potentialThe strength of the interaction potential increasesDetection of traffic movementDesign optimisation/simulationTraffic flow modelingEngineering
The invention relates to an inter-vehicle interaction potential based entrance ramp traffic flow model simulation method. According to the invention, the interaction between upstream and downstream vehicles of an entrance ramp and vehicles intending to pass the entrance ramp is considered, and an inter-vehicle interaction potential based entrance ramp system traffic flow model is provided. Compared with previous models, the new model particularly considers influences imposed on decision-making of a driver for entrance ramp passage by the upstream and downstream vehicle density of the entrance ramp.
Owner:SOUTHWEST JIAOTONG UNIV +2
Parallel optimization method of large-scale molecular dynamics in nanofabrication
InactiveCN101859336ARealize mechanical performance testingSpecial data processing applicationsPartition of unityComputer science
The invention provides a parallel optimization method of large-scale molecular dynamics in nanofabrication, relating to a nanometer material mechanics performance testing technique. The method comprises the following steps: dividing a system into three-dimensional cube small girds according to a cut-off radius describing the interaction potential of the system; except the border grid, constructing a near atom interaction table of atoms in a centre gird on a cube (two dimension square) consisting of 27 adjacent small girds; constructing a near atom interaction table of all the atoms in the system by the same method; according to the interaction range of a cutter, a pressure head (if the system is provided with the cutter and the pressure head) and a workpicece, constructing a near atom interaction table of workpiece atoms and cutter as well as pressure head atoms in the interaction range taking the cutter and pressure head as the centre; and finally taking the three-dimensional cube small gird as a unit, and carrying out division on a node calculation task in a parallel program. The invention can improve the simulation scale of an MD in a nanometer project.
Owner:SHENYANG JIANZHU UNIVERSITY
Method for recovering gas content of shale
InactiveCN105277464AAvoid uncertaintyAvoid irrationalityMaterial analysisPhysical chemistryEquation of state
The invention provides a method for recovering gas content of shale. According to the method, the original gas content of the shale is recovered according to adsorption gas content and pore volume gas content, wherein on the theoretical bases of Polanyi adsorption potential, the London chromatic dispersion interaction potential energy theory and a gas state equation in combination of a core column methane isothermal adsorption curve, test data of gas components as well as porosity and water saturation of the shale, recovery of the adsorption gas content is acquired through adsorption gas content change of gas at the formation temperature and at the temperature of 95 DEG C in the analytical process and; recovery of the pore volume gas content is acquired by adopting test data of the porosity and the water saturation through the state equation. According to the method for recovering the gas content of the shale, the theoretical bases are further perfected, the original content of each gas component of the shale can be recovered, and mineability of a shale gas reservoir can be evaluated more accurately, more objectively and more comprehensively.
Owner:CHINA UNIV OF PETROLEUM (BEIJING)
Flat metal particle-containing composition and heat ray-shielding material
ActiveCN102249548AHigh selectivityGood light fastnessMaterial nanotechnologyTransportation and packagingMetal particleMaterials science
Owner:FUJIFILM CORP
Remote sensing image classification marking method based on composite graph conditional random field
ActiveCN106056128AEnhanced classification labeling performanceImprove abilitiesCharacter and pattern recognitionConditional random fieldTruth value
The invention discloses a remote sensing image classification marking method based on a composite graph conditional random field in allusion to a classification marking problem of remote sensing images. The method comprises the steps of acquiring a training sample and a test sample through manual sample collection, wherein the training sample contains a category marking truth value; building a composite graph; defining a correlation potential function and an interaction potential function of the conditional random field; optimizing a conditional random field model through a quasi-Newton method; and carrying out reference on the test sample through a loop belief propagation algorithm so as to acquire a classification marking result. In the invention, the composite graph is built through combining a sparse graph which is capable of expressing global interaction information and a spatial graph which is capable of expressing local spatial interaction information, the data expression capacity of a graph structure is enhanced, thus the classification marking performance of the conditional random field is enhanced, and high classification marking precision is provided.
Owner:BEIHANG UNIV
Metal nanowire-containing composition, and transparent conductor
ActiveUS8883045B2Improve thermal stabilityNanotechConductive materialMetal nanowiresMaterials science
The present invention provides a metal nanowire-containing composition containing at a least metal nanowire and a heterocyclic compound having an interaction potential of less than −1 mV.
Owner:FUJIFILM CORP
Image recognition and neural network model training method, device and system
ActiveCN110163369AReduce false recognition rateImprove accuracyCharacter and pattern recognitionNeural learning methodsFeature extractionNetwork model
The invention relates to an image recognition and neural network model training method, device and system. The method comprises the steps of obtaining a to-be-identified image; inputting the to-be-identified image into the neural network model for feature extraction processing, and outputting a target image feature of the to-be-identified image in the feature space, wherein the neural network model is obtained by training based on a loss function including charge interaction potential energy, the charge interaction potential energy is related to distances between different image features in the feature space, and the charge interaction potential energy comprises charge attraction potential energy between the image features belonging to the same object and charge rejection potential energybetween the image features belonging to different objects; and performing image recognition processing on the target image features to obtain an image recognition result of the to-be-recognized image.By adopting the method, the image false identification rate can be reduced.
Owner:MEGVII BEIJINGTECH CO LTD
Molecular dynamics-based method for testing impact of nano single droplets on surface of bent solid
InactiveCN111144011AAchieve deformationAchieve flowDesign optimisation/simulationCAD numerical modellingTemperature controlComputational model
The invention discloses a molecular dynamics-based method for testing the impact of a nano single droplet on the surface of a bent solid, which is characterized by comprising the following steps of: 1, establishing a calculation model in lamps software, setting an initial coordinate and an initial speed of a simulation system, and selecting a proper simulation time step length; 2, selecting a proper interatomic interaction potential function (force field), and calculating the stress; 3, selecting proper boundary conditions and external conditions; 4, carrying out numerical calculation by utilizing a Velocity-verlet algorithm and a Langevin temperature control method; and 5, importing a calculation result into ovito software to obtain liquid drop motion snapshots. According to the invention, the flow characteristics and spreading characteristics of deformation, flowing and wetting of liquid drops after the liquid drops impact the curved surface are obtained.
Owner:ANHUI POLYTECHNIC UNIV MECHANICAL & ELECTRICAL COLLEGE
A detection method of piezoelectric coefficient
InactiveCN102662111BAvoid accumulationReduce biasElectrical measurementsPulsed DCAlternating current
The invention discloses a piezoelectric coefficient detection method. After the method of the present invention adopts the loading pulse direct current voltage, utilizes the alternating current voltage signal to test the micro-area piezoelectric coefficient of the sample, can test the piezoelectric coefficient of the nonlinear piezoelectric sample; When testing the piezoelectric coefficient of the material, stop giving the sample to be tested Apply a DC voltage, and use the applied AC voltage to detect the piezoelectric coefficient of the sample to be tested under each quasi-static DC bias voltage, that is, each DC pulse, so as to avoid the accumulation of charges on the surface of the sample to be tested due to the application of a DC electric field during the test, This causes the probe cantilever to generate an induced potential, thereby avoiding the deviation of the position of the probe cantilever caused by the interaction potential between the electric field of the needle tip and the surface of the sample to be tested, thereby eliminating the deviation of the optical circuit of the atomic force microscope and improving the test accuracy.
Owner:UNIV OF ELECTRONICS SCI & TECH OF CHINA
Aluminium electrolysis fused salt system force field fitting method based on potential energy surface scanning
PendingCN110473596AHigh degree of fitGet quickly and efficientlyComputational theoretical chemistryInstrumentsMolecular dynamicsBuckingham potential
The invention discloses an aluminium electrolysis fused salt system force field fitting method based on potential energy surface scanning. The method combining potential energy surface scanning with nonlinear fitting is suitable for a potential parameter of molecular dynamics simulation of an aluminium electrolysis fused salt system. The method comprises the steps that a potential energy surface between any two ions in the fused salt system is calculated; the interaction potential energy of charges and static electricity of the ions in fused salt is calculated; the static interaction potentialenergy among the ions is decomposed to obtain Buckingham potential energy; a nonlinear fitting method is adopted for fitting a Buckingham potential function, and the potential parameter suitable formolecular dynamics simulation of the fused salt system is obtained; according to the established potential parameter, the fused salt system is subjected to molecular dynamics simulation, and an ion structure and a transport property of the fused salt system are calculated. Based on the aluminium electrolysis fused salt system force field fitting method, the potential parameter suitable for molecular dynamics simulation of the fused salt system is established, the defect of potential parameter shortage is overcome, and the technical support is provided for research on the ion structure and thetransport property of the fused salt system.
Owner:CENT SOUTH UNIV
Composition for the prevention and elimination of odors
ActiveUS20190231915A1Large specific surface areaImprove efficiencyBiocideOrganic chemistryPorosityParticulates
Articles can be provided with odor resistance by applying a dispersion of a halogenated heterocyclic N-halamine in an inert liquid carrier onto the surface of the article and allowing the inert liquid carrier to penetrate into it. The N-halamine accordingly becomes deposited on the surface of the article after the inert liquid carrier penetrates into the article. This method can be used to provide odor resistance to a variety of substrates, including garbage bags. It can also be used to deposit other functional particulates onto the surface of substrates having sufficient porosity to take up the vehicle. For instance, such functional particles can be oxidants that display antimicrobial and / or enzyme inhibitory efficacy or particles having toxin interaction potentials through oxidative degradation or adsorption of toxic substances in air and / or water, such as fluoride uptake by metal oxide microparticles.
Owner:THE GLAD PROD CO
Method for correcting DLVO formula of interaction potential between colloidal particles
The invention discloses a method for correcting an interaction potential DLVO formula between particles. The method comprises the following steps: (1) determining intrinsic parameters of a research object; (2) drawing a DLVO curve according to each parameter value, and determining a critical distance value; (3) correcting the distance between any two particles according to the critical distance value; and (4) compiling the correction formula into a simulation program, and traversing all particles until the simulation is finished. The invention provides a necessary and reasonable DLVO formula correction method, so that the related simulation calculation of the colloidal particles conforms to the description of the classical DLVO theory.
Owner:GRIMAT ENG INST CO LTD
Construction of a ti-al-v ternary alloy molecular dynamics α+β two-phase geometric model and potential function fitting method
ActiveCN112992280BSimplify the calculation process of dynamic simulationImprove calculation accuracyComputational theoretical chemistryInstrumentsBinary alloyGeometric modeling
The invention belongs to the field of material molecular dynamics, relates to molecular dynamics modeling and potential function fitting methods of ternary alloy dual-phase materials, and specifically discloses a Ti-Al-V ternary alloy molecular dynamics α+β dual-phase geometry Model construction and potential function fitting method. First, according to the high-temperature X-ray diffraction test of α+β dual-phase titanium alloy, the Ti-Al-V ternary alloy at room temperature is divided into Ti-Al-dominated α phase and Ti-V-dominated β phase, and the The Voronoi subdivision method is used to construct polycrystalline models of α and β phases; the polycrystalline models of α and β phases are combined to construct a Ti‑Al‑V ternary alloy α+β multiphase polycrystalline model; based on the constructed multiphase polycrystalline The model uses the binary alloy 2NN‑MEAM potential function to fit the interaction relationship between atoms, and characterizes the atomic interaction potential of the Ti‑Al‑V ternary alloy system.
Owner:SUZHOU CHIEN SHIUNG INST OF TECH
A method and system for restoring the surface geometry of a concave area of an object
ActiveCN109142796BIncrease forceResolve distortionScanning probe microscopySurface geometryDistortion
The invention discloses a method and system for restoring the geometrical appearance of the surface of a concave region of an object. According to the method, an interaction potential between an atomic force microscope tip in any shape and a measured object is expressed a function of a local principal curvature of the atomic force microscope tip; the tip rotates and two groups of acting force dataof a measured scanning point are recorded; the two groups of acting force data are compared to determine whether an obvious concave region occurs on the surface of the measured object; and if so, theheight of the atomic force microscope tip is adjusted twice, a vertical height between the atomic force microscope tip and the surface of the measured object is calculated based on a geometric approximation relationship, so that a real geometrical appearance of the obvious concave region of the surface of the measured object is restored. Therefore, the error of the atomic force microscope in thesurface concave region is corrected; a problem of image distortion of the existing atomic force microscope in the surface concave region is solved; and the detection precision of the surface concave region of the measured object is improved.
Owner:NANJING UNIV OF AERONAUTICS & ASTRONAUTICS
Method for calculating interaction potential between filler particles in polymeric material
ActiveUS9946817B2Improve accuracyChemical property predictionDesign optimisation/simulationFree energiesVirtual space
A method for calculating an interaction potential between filler particles in a polymeric material by using a computer is disclosed. The method comprises: arranging filler models and polymer models in a virtual space; calculating a free energy in the virtual space based on a mean field theory; obtaining parameters of the Lennard-Jones potential by approximating the free energy to the Lennard-Jones potential.
Owner:SUMITOMO RUBBER IND LTD
Composition for the prevention and elimination of odors
ActiveUS20190231916A1Large specific surface areaImprove efficiencyBiocideOrganic chemistryParticulatesPorosity
Articles can be provided with odor resistance by applying a dispersion of a halogenated heterocyclic N-halamine in an inert liquid carrier onto the surface of the article and allowing the inert liquid carrier to penetrate into it. The N-halamine accordingly becomes deposited on the surface of the article after the inert liquid carrier penetrates into the article. This method can be used to provide odor resistance to a variety of substrates, including garbage bags. It can also be used to deposit other functional particulates onto the surface of substrates having sufficient porosity to take up the vehicle. For instance, such functional particles can be oxidants that display antimicrobial and / or enzyme inhibitory efficacy or particles having toxin interaction potentials through oxidative degradation or adsorption of toxic substances in air and / or water, such as fluoride uptake by metal oxide microparticles.
Owner:THE GLAD PROD CO
A method for determining the bandgap shift of semiconductor nanocrystal quantum dots in different media
ActiveCN106815490BEasy to determineInformaticsSpecial data processing applicationsSemiconductor nanocrystalsMirror image
Owner:杭州海微检测科技有限公司
Parallel prediction methods for protein folding
InactiveCN105787292BPolarization cannot be ignoredThe result is accurateSpecial data processing applicationsPredictive methodsProtein structure
The invention relates to a parallel prediction method for protein folding, which includes the following steps: different protein structures are obtained through molecular dynamics simulation; different temperatures are set to obtain more protein structures of different conformations through copy exchange; and a conjugated cap molecule segmentation method is used Segment the protein structure of different conformations, decompose each amino acid from the protein, and put a conjugation cap on each amino acid molecular fragment; use quantum mechanics software to calculate the electrostatic potential of the molecular fragments to fit each amino acid The charge of each atom in the molecular fragment and updates the atomic charge in the molecular force field. In order to study the problem of protein folding, the present invention organically combines the above-mentioned scheme that considers protein polarization effects with a method based on replica exchange, thereby overcoming the two major problems of atomic interaction potential and sampling technology in dynamic simulation, in the hope of being able to Better results were obtained in protein folding simulations.
Owner:DALIAN INST OF CHEM PHYSICS CHINESE ACAD OF SCI
Image Semantic Annotation Method Based on Energy Model
InactiveCN104077352BHigh precisionAvoid semantic confusionImage analysisSemantic analysisPattern recognitionCo-occurrence
The invention discloses an image semantic labeling method based on an energy model. In the image semantic labeling method, the image-semantic label in different regions of the original image is constructed by using the corresponding potential of the regional image-semantic label and the interaction potential between the semantic labels. The full energy function under the corresponding relationship is used to fuse the image context information and appearance information by using the full energy function. Compared with the contextual object classification models in the prior art that only use co-occurrence information between objects, or only use fixed spatial relationships and simple frequency counting methods, the full energy function proposed in the image semantic tagging method of the present invention passes through the fuzzy space The relationship makes full use of the spatial structure information between objects, effectively avoids the problem of semantic confusion, and improves the accuracy of semantic annotation.
Owner:ZHEJIANG UNIV
License plate recognition method and system under complex illumination
ActiveCN103530600BSolving recognition problemsImprove recognition rateCharacter and pattern recognitionCorrelation functionLicense
The present invention provides a license plate recognition method and system under complex illumination, wherein the method includes: by positioning the license plate and character segmentation of multiple candidate positions, and obtaining Segment the probability value of each character segmentation position in the candidate position, and then obtain the optimal segmentation position of the character according to the probability value. The invention can solve the problem of license plate recognition in complex lighting environment and improve the recognition rate of the license plate.
Owner:NEUSOFT CORP
Method and system for restoring geometrical appearance of surface of concave region of object
ActiveCN109142796AIncrease forceResolve distortionScanning probe microscopySurface geometryDistortion
The invention discloses a method and system for restoring the geometrical appearance of the surface of a concave region of an object. According to the method, an interaction potential between an atomic force microscope tip in any shape and a measured object is expressed a function of a local principal curvature of the atomic force microscope tip; the tip rotates and two groups of acting force dataof a measured scanning point are recorded; the two groups of acting force data are compared to determine whether an obvious concave region occurs on the surface of the measured object; and if so, theheight of the atomic force microscope tip is adjusted twice, a vertical height between the atomic force microscope tip and the surface of the measured object is calculated based on a geometric approximation relationship, so that a real geometrical appearance of the obvious concave region of the surface of the measured object is restored. Therefore, the error of the atomic force microscope in thesurface concave region is corrected; a problem of image distortion of the existing atomic force microscope in the surface concave region is solved; and the detection precision of the surface concave region of the measured object is improved.
Owner:NANJING UNIV OF AERONAUTICS & ASTRONAUTICS
Parallel optimization method of large-scale molecular dynamics in nanofabrication
InactiveCN101859336BRealize mechanical performance testingSpecial data processing applicationsPartition of unityComputer science
The invention provides a parallel optimization method of large-scale molecular dynamics in nanofabrication, relating to a nanometer material mechanics performance testing technique. The method comprises the following steps: dividing a system into three-dimensional cube small girds according to a cut-off radius describing the interaction potential of the system; except the border grid, constructing a near atom interaction table of atoms in a centre gird on a cube (two dimension square) consisting of 27 adjacent small girds; constructing a near atom interaction table of all the atoms in the system by the same method; according to the interaction range of a cutter, a pressure head (if the system is provided with the cutter and the pressure head) and a workpicece, constructing a near atom interaction table of workpiece atoms and cutter as well as pressure head atoms in the interaction range taking the cutter and pressure head as the centre; and finally taking the three-dimensional cube small gird as a unit, and carrying out division on a node calculation task in a parallel program. The invention can improve the simulation scale of an MD in a nanometer project.
Owner:SHENYANG JIANZHU UNIVERSITY
Graphics processing unit based discrete simulation computation method of multicomponent system
InactiveCN101727653BSolve inefficiencyImprove computing efficiencyImage data processing detailsGraphicsComputational science
The invention relates to a graphics processing unit based discrete simulation computation method of a multicomponent system, which is realized on a parallel computation system comprising multiple computation nodes, wherein the computation nodes are provided with graphics processing units (GPU). The discrete simulation computation method comprises the following steps of: decomposing the space of the multicomponent system to be simulated; establishing the mapping relationship between granules and grids inside the multicomponent system; (3) distributing the information of the granules to thread blocks inside the GPUs arranged on the multiple computation nodes, and storing the interaction potential parameters and the simulation setting information of the granules into internal storages of theGPUs; computing acting force born by the granules on the GPUs, and updating the speed and the positions of the granules according to the acting force; and before the simulation of the multicomponent system is completed, repeating executing steps completed in the GPUs till a simulated result is output from the parallel computation system after the simulation is completed. The invention solves the problem of low efficiency caused by selection when the GPUs compute multiple interaction potentials and greatly enhances the computation efficiency compared with a CPU.
Owner:INST OF PROCESS ENG CHINESE ACAD OF SCI
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