相关论文: Modeling meso-scale energy localization in shocked…

This work presents the procedure for constructing a machine learned surrogate model for hotspot ignition and growth rates in pressed HMX materials. A Bayesian Kriging algorithm is used to assimilate input data obtained from high-resolution…

Meso-scale calculations of pore collapse and hotspot formation in energetic crystals provide closure models to macro-scale hydrocodes for predicting the shock sensitivity of energetic materials. To this end, previous works obtained…

Molecular dynamics simulations on a three dimensional defective Lennard-Jones solid containing a void are performed in order to investigate detailed properties of hot spot generation. In addition to the temperature, I monitor the number of…

Accurate and predictive scale-resolving simulations of laser-ignited rocket engines are highly time-consuming because the problem includes turbulent fuel-oxidizer mixing dynamics, laser-induced energy deposition, and high-speed flame…

Knee contact-stress hotspots are closely linked to meniscal/cartilage injury risk. Still, high-fidelity subject-specific FEA is too computationally expensive for large-cohort, multi-condition, near-real-time use. Existing MeshGraphNet-style…

Crash simulations play an essential role in improving vehicle safety, design optimization, and injury risk estimation. Unfortunately, numerical solutions of such problems using state-of-the-art high-fidelity models require significant…

CEA-Gramat studies the sensitivity of energetic materials to enhance their security and reliability. The conditions leading to the initiation of an explosive must be understood to control its sensitivity. According to the hot spots theory,…

The non-equilibrium dynamics of mesoscale phase transitions are fundamentally shaped by thermal fluctuations, which not only seed instabilities but actively control kinetic pathways, including rare barrier-crossing events such as nucleation…

We present a comprehensive study of voids formation, nucleation and growth in a prototype model of binary alloys subjected to irradiation by using a combined approach based on phase field and rate theories. It is shown that voids formation…

Interacting multi-scale physics present in the Rotating Detonation Engine lead to diverse nonlinear dynamical behavior, including combustion wave mode-locking, modulation, and bifurcations. In this work, surrogate models of the RDE physics,…

Voids develop in crystalline materials under energetic particle irradiation, as in nuclear reactors. Understanding the underlying mechanisms of void nucleation and growth is of utmost importance as it leads to dimensional instability of the…

The shock response of two-dimensional model high explosive crystals with various arrangements of circular voids is explored. We simulate a piston impact using molecular dynamics simulations with a Reactive Empirical Bond Order (REBO) model…

We study the effect of cavity collapse in non-ideal explosives as a means of controlling their sensitivity. The aim is to understand the origin of localised temperature peaks (hot spots) which play a key role at the early stages of…

Stress hotspots are regions of stress concentrations that form under deformation in polycrystalline materials. We use a machine learning approach to study the effect of preferred slip systems and microstructural features that reflect local…

Understanding structure-property relations is essential to optimally design materials for specific applications. Two-scale simulations are often employed to analyze the effect of the microstructure on a component's macroscopic properties.…

Twinning is an important deformation mode in plastically deformed hexagonal close-packed materials. The extremely high twin growth rates at the nanoscale make atomistic simulations an attractive method for investigating the role of…

High-fidelity computational models of cardiac mechanics provide mechanistic insight into the heart function but are computationally prohibitive for routine clinical use. Surrogate models can accelerate simulations, but generalization across…

In order to improve the understanding of damage evolution in mechanically heterogeneous microstructures, like the ones of dual-phase steels, the influence of the applied stress state is a key element. In this work, we studied the influence…

Numerous crystal- and microstructural-level mechanisms are at play in the formation of hotspots, which are known to govern high explosive initiation behavior. Most of these mechanisms, including pore collapse, interfacial friction, and…

Microstructure evolution, which plays a critical role in determining materials properties, is commonly simulated by the high-fidelity but computationally expensive phase-field method. To address this, we approximate microstructure evolution…