Search results for "Energy methods"

showing 4 items of 4 documents

Molecular basis of SARS-CoV-2 infection and rational design of potential antiviral agents: Modeling and simulation approaches

2020

International audience; The emergence in late 2019 of the coronavirus SARS-CoV-2 has resulted in the breakthrough of the COVID-19 pandemic that is presently affecting a growing number of countries. The development of the pandemic has also prompted an unprecedented effort of the scientific community to understand the molecular bases of the virus infection and to propose rational drug design strategies able to alleviate the serious COVID-19 morbidity. In this context, a strong synergy between the structural biophysics and molecular modeling and simulation communities has emerged, resolving at the atomistic level the crucial protein apparatus of the virus and revealing the dynamic aspects of k…

0301 basic medicineComputer sciencedrug designIn silicoPneumonia Viralmembrane fusioncoronavirusReviewsDrug designComputational biologyMolecular Dynamics SimulationViral Nonstructural Proteinsmedicine.disease_causespike proteinAntiviral AgentsMolecular Docking SimulationBiochemistry[SPI.AUTO]Engineering Sciences [physics]/AutomaticModeling and simulationBetacoronavirus03 medical and health sciencesPandemicmedicineHumansstructural biophysicsPandemicsCoronavirus030102 biochemistry & molecular biologySARS-CoV-2free-energy methodsmolecular modelingRational designCOVID-19General ChemistryVirus InternalizationSARS unique domainmolecular dynamics3. Good healthMolecular Docking Simulation030104 developmental biologyDocking (molecular)Settore CHIM/03 - Chimica Generale E InorganicaSpike Glycoprotein CoronavirusdockingproteasesCoronavirus Infections
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A dissipated energy comparison to evaluate fatigue resistance using 2PB

2012

Flexural fatigue due to repeated traffic loading is a process of cumulative damage and one of the main failure modes of flexible pavement structures. Typically, micro-cracks originate at the bottom of an asphalt concrete layer due to horizontal tensile strains. Micro-cracking starts to propagate towards the upper layers under repeated loading which can lead to pavement failure. Different approaches are usually used to characterise fatigue resistance in asphalt mixtures including the phenomenological approach, the fracture mechanics approach and the dissipated energy approach. This paper presents a comparison of fatigue resistance calculated for different dissipated energy models using 2 Poi…

Flexural Fatigue Dissipated Energy Methods 2 Point Bending TestsSettore ICAR/04 - Strade Ferrovie Ed Aeroporti
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On relation between J-integral and heat energy dissipation at the crack tip in stainless steel specimens

2019

In this paper, an experimental procedure to evaluate the elastic-plastic J-integral at the tip of a fatigue crack is presented. According to this new approach, the elastic component of the J-integral is derived from Thermoelastic Stress Analysis, while the plastic component of the J-integral is derived from the heat energy loss. An analytical link is proposed to apply this new experimental technique. Therefore, the elastic-plastic J-integral range was evaluated starting from infrared temperature maps measured in situ during crack propagation tests of AISI 304L stainless steel specimens. It was found that the range of the infrared thermography-based J-integral correlated well the crack growt…

J-integralMaterials scienceInfraredCrack tip plasticityMechanical EngineeringFracture Mechanicslcsh:Mechanical engineering and machineryEnergy methodlcsh:TA630-695Fracture mechanicslcsh:Structural engineering (General)DissipationFracture MechanicFinite element methodStress (mechanics)Settore ING-IND/14 - Progettazione Meccanica E Costruzione Di MacchineEnergy methodsThermoelastic dampingMechanics of MaterialsCrack tip plasticity; Energy methods; Fracture Mechanics; J-integral; Thermoelastic Stress AnalysisThermographyRange (statistics)Thermoelastic Stress Analysislcsh:TJ1-1570Composite materialFrattura ed Integrità Strutturale
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Infrared thermography-based evaluation of the elastic-plastic J-integral to correlate fatigue crack growth data of a stainless steel

2019

Abstract The elastic-plastic J-integral is adopted to correlate fatigue crack growth data of ductile metals. An analytical link is known to exist between the J-integral and the strain energy density averaged in a control volume embracing the crack tip. On the other hand, the strain energy fluctuation is the source of temperature variations close to a fatigue crack tip of a metal material; hence the possibility to measure the J-integral from infrared thermographic scanning at the crack tip is envisaged and it is the focus of this paper. It is proposed that the elastic component of the J-integral is derived from a thermoelastic stress analysis, while the plastic component of the J-integral is…

Materials scienceFracture mechanic02 engineering and technologyIndustrial and Manufacturing EngineeringStrain energyStress (mechanics)Thermoelastic damping0203 mechanical engineeringThermoelastic Stress AnalysisGeneral Materials ScienceComposite materialFatigueJ-integralCrack tip plasticityMechanical EngineeringEnergy methodTemperatureStrain energy density functionFracture mechanicsParis' law021001 nanoscience & nanotechnologyFinite element method020303 mechanical engineering & transportsMechanics of MaterialsModeling and SimulationFracture mechanics Crack tip plasticity Thermoelastic Stress Analysis Energy methods Fatigue Temperature J-integralThermography0210 nano-technology
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