Construction of conjugated scaffolds driven by mechanochemistry towards energy storage applications
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Model reduction techniques have been widely used in modeling of high-dimensional stochastic input in uncertainty quantification tasks. However, the probabilistic modeling of random variables projected into reduced-order spaces presents a number of computational challenges. Due to the curse of dimensionality, the underlying dependence relationships between these random variables are difficult to capture. In this work, a probabilistic graphical model based approach is employed to learn the dependence by running a number of conditional independence tests using observation data. Thus a probabilistic model of the joint PDF is obtained and the PDF is factorized into a set of conditional distributions based on the dependence structure of the variables. The estimation of the joint PDF from data is then transformed to estimating conditional distributions under reduced dimensions. To improve the computational efficiency, a polynomial chaos expansion is further applied to represent the random field in terms of a set of standard random variables. This technique is combined with both linear and nonlinear model reduction methods. Numerical examples are presented to demonstrate the accuracy and efficiency of the probabilistic graphical model based stochastic input models. - Highlights: • Data-driven stochastic input models without the assumption of independence of the reduced random variables. • The problem is transformed to a Bayesian network structure learning problem. • Examples are given in flows in random media.
In this paper, we aim to propose a novel mathematical model for traffic flow and apply a newly developed characteristic particle method to solve the associate governing equations. As compared with the existing non-equilibrium higher-order traffic flow models, the present one is put forward to satisfy the following three conditions: 1.Preserve the equilibrium state in the smooth region. 2.Yield an anisotropic propagation of traffic flow information. 3.Expressed with a conservation law form for traffic momentum. These conditions will ensure a more practical simulation in traffic flow physics: The current traffic will not be influenced by the condition in the behind and result in unambiguous condition across a traffic shock. Through analyses of characteristics, stability condition and steady-state solution adherent to the equation system, it is shown that the proposed model actually conform to these conditions. Furthermore, this model can be cast into its characteristic form which, incorporated with the Rankine-Hugoniot relation, is appropriate to be simulated by the characteristic particle method to obtain accurate computational results. - Highlights: • The traffic model expressed with the momentum conservation law. • Traffic flow information propagate anisotropically and preserve the equilibrium state in the smooth region. • Computational particles of two families are invented to mimic forward-running and backward-running characteristics. • Formation of shocks will be naturally detected by the intersection of computational particles of same family. • A newly developed characteristic particle method is used to simulate traffic flow model equations.
The cylinder, sandwich and aquarium tests are routine experiments used to investigate the performance of high explosives. Here, we present a solution technique which simulates these experiments as two dimensional problems in steady traveling coordinates. Using a coordinate system aligned with the streamlines of the flow, an efficient numerical scheme is developed which uses an approximate Riemann solver to model the change in state across streamlines. The technique can also accommodate arbitrary equations of state for the materials. Two verification exercises show that the algorithm converges at second order. Validation studies using the aquarium experiment agreed well with simulations, though the omission of a material strength model leads to some discrepancies between simulation and experiments for the cylinder test. This computational technique is able to predict the behavior of these common high explosive experiments on the order of minutes on a single processor with very fine spatial resolution, on the order of 10 μm.
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Developing long-lifetime bulk-form ceramic-based materials with high irradiation resistance is crucial for advanced nuclear systems. Here, we incorporated carbon nanotubes (CNTs) into yttria-stabilized zirconia (YSZ) and magnesia (MgO) nanocrystals to fabricate bulk YSZ-MgO-CNT nanocomposites with abundant ternary nanostructures by spark plasma sintering. To understand the role of tailored ternary nanostructure on irradiation, we investigated the microstructure and mechanical properties evolutions of the YSZ-MgO-CNT nanocomposites irradiated by multi-energy He + ions at high temperature to different fluences. Compared with the single-phase YSZ and ultrafine-grained YSZ-MgO composites, the YSZ-MgO-CNT nanocomposites possessed higher ability to manage irradiation-induced He bubbles/defects via the defect-interface interactions of proposed “loading-unloading” and “loading-transporting-unloading” mechanisms for controlling the dynamical behaviors of He atoms/defects in the CNT-doped ternary nanostructures, thereby presenting more stable microstructure and better performance in resisting irradiation hardening. In conclusion, this work provides insight into the design of advanced inert matrix nuclear fuel and new nuclear waste management materials.