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Active learning and molecular dynamics simulations to find high melting temperature alloys
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Phase-field dislocation dynamics simulations of temperature-dependent glide mechanisms in niobium
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Nano-engineering of the mechanical properties of tobermorite 14 Å with graphene via molecular dynamics simulations
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Molecular dynamics simulation on vegetable oil modified model asphalt
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86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy
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Molecular dynamics simulations of ortho-carborane nano-diamond storage within the nonpolar channel c
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Exploring the benefits of molten salt reactors: An analysis of flexibility and safety features using dynamic simulation
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Quantification of CH4 adsorption capacity in kerogen-rich reservoir shales: An experimental investigation and molecular dynamic simulation
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Molecular dynamics simulations and applications in computational toxicology and nanotoxicology
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Dynamic simulation of CO 2 -injection-induced fault rupture with slip-rate dependent friction coefficient
It is known that poro-elastic stress and effective stress reduction associated with deep underground fluid injection can potentially trigger shear rupture along pre-existing faults. We modeled an idealized CO 2 injection scenario, to assess the effects on faults in the first phase of a generic CO 2 aquifer storage operation. We used coupled multiphase fluid flow and geomechanical numerical modeling to evaluate the stress and pressure perturbations induced by fluid injection and the response of a nearby normal fault. Slip-rate dependent friction and inertial effects have been taken into account during rupture. Contact elements have been used to take into account the frictional behavior of the rupture plane. We investigated different scenarios of injection rate to induce rupture on the fault, employing various fault rheologies. Published laboratory data on CO 2 -saturated intact and crushed rock samples, representative of a potential target aquifer, sealing formation and fault gouge, have been used to define a scenario where different fault rheologies apply at different depths. Nucleation of fault rupture takes place at the bottom of the reservoir, in agreement with analytical poro-elastic stress calculations, depending on injection-induced reservoir inflation and the tectonic stress scenario. For the stress state considered here, the first triggered rupture always produces the largest rupture length and slip magnitude, both of which correlate with the fault rheology. Velocity weakening produces larger ruptures and generates larger magnitude seismic events. Heterogeneous faults have been considered including velocity-weakening or velocity strengthening sections inside and below the aquifer, with the upper sections being velocity-neutral. Nucleation of rupture in a velocity-strengthening section results in a limited rupture extension, both in terms of maximum slip and rupture length. For a heterogeneous fault with nucleation in a velocity-weakening section, the rupture may propagate into the overlying velocity-neutral section, if the extent of velocity-weakening and associated friction drop are large enough.