Most metals, ceramics, semiconductors and rocks are composed of small crystals known as grains. When annealed, this polycrystalline structure coarsens, thus allowing the properties a material to be tailored for particular application. The mobility grain boundaries is thought determined by crystallography adjacent crystals, but experimental validation in bulk materials lacking. Here we developed novel fitting methodology direct comparison time-resolved three-dimensional data simulations...

Abstract There is growing interest in applying phase field methods as quantitative tools materials discovery and development. However, large driving forces, common many systems, lead to unstable profiles, thus requiring fine spatial temporal resolution. This demands more computational resources, limits the ability simulate systems with a suitable size, deteriorates capability of prediction. Here, we develop strategy map force constant perpendicular interface. Together third-order...

Choosing the correct free energy functional is critical when developing thermodynamically consistent phase field models. We show that grand-potential model minimizes Helmholtz mass conservation imposed. While both functionals are at a minimum equilibrium, decreases monotonically with time in model, whereas grand potential does not. Minimizing implies different problem where system can exchange its surroundings every point, leading to condition of isochemical and invalidating system.

A method to determine material parameters by comparing the evolution of experimentally determined 3D microstructures simulated is proposed. The temporal a dendritic solid-liquid mixture acquired in situ using x-ray tomography. Using time step from these data as an initial condition phase-field simulation, computed structure compared that measured at later time. An optimization technique used find yield best match microstructure global manner. proposed liquid diffusion coefficient isothermal...

Purpose Numerically analyzed the flow characteristic and explored hydrodynamic mechanism of pump mode hump district formation a Francis pump-turbine. Design/methodology/approach Numerical simulations were conducted entire pump-turbine passage under different discharge conditions by adopting SST-CC turbulence model. The internal at has been explained in detail combined with model test this paper. unsteady pressure fluctuation characteristics are analysed five nearby region. reason is...

Fully annealed Zr60700 alloy plates with a thickness of 15 mm were rolled at 15%, 30%, 45%, 60%, and 75% reductions, the rolling paths unidirectional (UR) cross-rolling (CR), respectively. Electron back-scatter diffraction (EBSD) experiments revealed that texture developed gradually towards basal increased reduction. Severe orientation hardening enhanced deformation resistance CR sample, resulting in higher grain size than UR sample. The plastic during process was dominated by dislocation...

Emerging challenges in cyber-physical systems (CPSs) have been encouraging the development of safety and security co-analysis methods. These methods aim at mitigating new risks associated with convergence safety-related systemic flaws security-related cyber-attacks that led to major losses CPSs. Although several studies reviewed existing methods, only a few empirical attempted compare their strengths limitations guide risk analysis practice. This paper bridges gap between two novel practical...

abstract In our previous study of Bakken shale imbibition, a group surfactant formulations were examined. These surfactants consistently altered the wetting state cores toward water-wet, and appeared to have substantial potential improve oil recovery from Formation compared brine water alone. To advance this development, paper investigates optimal salinities solutions by phase behavior IFT studies using formation oil. The ultimate objective research is determine for imbibe into displace...

Triple junctions (TJs) are line defects in three-dimensional (3D) polycrystalline materials where three grains meet. Transport along the TJs depends on connectivity between them. Here, we investigate of more than 6000 a 3D microstructure pure iron (Fe) through lens bond percolation. Our efforts made possible by synchrotron-based x-ray diffraction tomography, which allows us to resolve TJ network both temporally and spatially, during grain growth. In framework standard percolation theory,...

Due to located underground and relatively closed space, casualties would be caused if fire happens in subway station. The effect of suction velocity on the smoke control are analyzed determine optimal exhaust for safety evacuation a In this paper, full-scale experiment was conducted obtain system platform fire. Numerical simulation also by Fire Dynamics Simulator software (FDS). appropriate parameters were verified comparing results with experimental results. It has been found that at...

Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various processes. In this work, we propose a general phase field framework that fully variational and thus guarantees energy decreases upon an isothermal system. The bulk interface free energies are decoupled using grand potential formulation to enhance numerical efficiency. definition overpotential used, reaction kinetics incorporated into equation correctly capture capillary effects...

Purpose Numerically analyzed the flow characteristic and explored hydrodynamic mechanism of S-shaped region formation a Francis pump-turbine. Design/methodology/approach Three-dimensional steady unsteady simulations were performed for number operating conditions at optimal guide vanes opening. The Reynolds averaged Navier-Stokes equations with SST turbulence model solved to internal within entire passage. predicted discharge-speed curve agrees well test generating mode. This paper compared...

Striation-free laser cutting, especially for thick section steel, is hard to obtain due several factors. The inside shape of the gas nozzle considered be one most vital factors in striation-free fiber cutting. 0.8 mm normal and a supersonic are used cut AISI316L stainless steel (022Cr17Ni12Mo2) separately. orthogonal experiment takes standoff distance, cutting speed, Laser power pressure as its impacting same table adopted different condition, using nozzle. In mean time, Ar assisted...

As a common organic sulfide in industry, carbonyl sulfur (COS) is difficult to be removed by conventional desulfurization technologies because of its stable chemical properties. Mesoporous γ-Al2O3 (MA) has played an efficient role the catalytic hydrolysis COS, but life catalyst greatly shortened with progress reaction. Therefore, improving key application. In this study, P123 modified (P-MA) was prepared sol-gel method, and it regulated template agent acidity regulator. These preparation...

Lithium dendrite formation is one of the leading causes performance degradation and safety hazards in lithium batteries. Understanding evolution its morphology during cycling can provide critical insight into improving battery safety. Recent experimental studies with cryo-electron microscopy have revealed anisotropic morphologies metal deposition. Lithium, being a crystalline material, exhibits different surface energies reaction rates depending on crystal surfaces. In this study, we apply...

Choosing the correct free energy functional is critical when developing thermodynamically-consistent phase field models. We show that grand-potential model minimizes Helmholtz energy. While both functionals are at a minimum equilibrium, decreases monotonically with time in model, whereas grand potential does not. Minimizing implies different problem where system can exchange mass its surroundings every point, leading to condition of iso-chemical-potential and invalidating conservation system.

Artificial neural networks (ANNs) have become increasingly prevalent in various industries, with applications safety-critical domains such as image recognition, medical diagnosis, and autonomous vehicles. Assessing the robustness of ANN classifier-based systems (ANN-SCSs) operation is crucial, model performance can be compromised when input data deviate from training data. While existing reviews provide useful insights into research considering models, a structured discussion on ANN-SCS...

ContextThe increasing use of artificial neural network (ANN) classifiers in systems, especially safety-critical systems (SCSs), requires ensuring their robustness against out-of-distribution (OOD) shifts operation, which are changes the underlying data distribution from training classifier. However, measuring operation with only unlabeled is challenging. Additionally, machine learning engineers may need to compare different models or versions same model and switch an optimal version based on...