microstructural modelling
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2021 ◽  
Author(s):  
Hossein Rafipoor ◽  
Ying-Qiu Zheng ◽  
Ludovica Griffanti ◽  
Saad Jbabdi ◽  
Michiel Cottaar

Biophysical models that attempt to infer real-world quantities from data usually have many free parameters. This over-parameterisation can result in degeneracies in model inversion and render parameter estimation ill-posed. However, often, we are not interested in estimating the parameters per se, but rather in identifying changes in parameters between experimental conditions (e.g. patients vs controls). Here we present a Bayesian framework to make inference on changes in the parameters of biophysical models even when model inversion is degenerate, which we refer to as Bayesian EstimatioN of CHange (BENCH). We infer the parameter changes in two steps; First, we train models that can estimate the pattern of change in the measurements given any hypothetical change in the parameters using simulations. Next, for any pair of real data sets, we use these pre-trained models to estimate the probability that an observed difference in the data is caused by each model of change. The approach is general and particularly useful for biophysical models with parameter degeneracies. In this paper, we apply the approach in the context of microstructural modelling of diffusion MRI data, where the models are usually over-parameterised and not invertible without injecting strong assumptions. Using simulations, we show that in the context of the standard model for diffusion our approach is able to identify changes in microstructural parameters from multi-shell diffusion MRI data. We also apply our approach to a subset of subjects from the UK-Biobank Imaging to identify the dominant standard model parameter change in areas of white matter hyperintensities.


2021 ◽  
Vol 3 (1) ◽  
pp. 20
Author(s):  
Marios P. Sotiriou ◽  
John S. Aristeidakis ◽  
Maria-Ioanna T. Tzini ◽  
Ioanna Papadioti ◽  
Gregory N. Haidemenopoulos ◽  
...  

Additive manufacturing of an AISI 316L austenitic stainless steel was studied via an integrated thermomechanical and microstructural modelling approach. A finite element technique was employed to evaluate the temperature evolution due to successive material deposition. Heat transfer simulations provided the temperature field history, required to determine the microstructural evolution. Thermodynamic and kinetic simulations were employed to calculate temporal and spatial distribution of phases and alloying elements upon solidification and subsequent thermal cycling. The ensuing microstructural properties could be provided as an input for a mechanical finite element analysis to calculate, based on local mechanical properties, the residual stresses and distortions.


2020 ◽  
Vol 37 (9) ◽  
pp. 3171-3186
Author(s):  
Huy Quang Do ◽  
Shashank Bishnoi ◽  
Karen Louise Scrivener

Purpose This paper aims to develop a numerical, micromechanical model to predict the evolution of autogenous shrinkage of hydrating cement paste at early age (up to 7 days). Autogeneous shrinkage can be important in high-performance concrete characterized by low water to cement (w/c) ratios. The occurrence of this phenomenon during the first few days of hardening may result in early-age cracking in concrete structures. A good prediction of autogeneous shrinkage is necessary to achieve better understanding of the mechanisms and the deployment of effective measures to prevent early-age cracking. Design/methodology/approach Three-dimensional digital microstructures from the hydration modelling platform μic of cement paste were used to simulate macroscopic autogenous shrinkage based on the mechanism of capillary tension. Elastic and creep properties of the digital microstructures were calculated by means of finite element (FE) method homogenization. Autogenous shrinkage was then estimated as the average hydrostatic strain resulting from the capillary stress that was globally applied on the simulated digital microstructures. For this estimation, two approaches of homogenization technique, i.e. analytical poro-elasticity and numerical creep-superposition were used. Findings The comparisons of between the simulated and experimentally measured deformations indicate that the creep-superposition approach is more reasonable to estimate shrinkage at different water to cement ratios. It was found that better estimations could be obtained at low degrees of hydration, by assuming a loosely packed calcium silicate hydrates (C-S-H) growing in the microstructures. The simulation results show how numerical models can be used to upscale from microscopic characteristics of phases to macroscopic composite properties such as elasticity, creep and shrinkage. Research limitations/implications While the good predictions of some cement paste properties from the microstructure at early age were obtained, the current models have several limitations that are needed to overcome in the future. Firstly, the limitation of pore-structure representation is not only from lack understanding of C-S-H structure but also from the computational complexity. Secondly, the models do not consider early-age expansion that usually happens in practice and appears to be superimposed on an underlying shrinkage as observed in experiments. Thirdly, the simplified assumptions for mechanical simulation do not accurately reflect the solid–liquid interactions in the real partially saturated system, for example, the globally applying capillary stress on the boundary of the microstructure to find the effective deformation, neglecting water flow and the pore pressure. Last but not least, the models, due to the computational complexities, use many simplifications such as FE approximation, mechanical phase properties and creep statistical data. Originality/value This study holistically tackles the phenomenon of autogeneous shrinkage through microstructural modelling. In a first such attempt, the authors have used the same microstructural model to simulate the microstructural development, elastic properties, creep and autogeneous shrinkage. The task of putting these models together was not simple. The authors have successfully handled several problems at each step in an elegant manner. For example, although several earlier studies have pointed out that discrete models are unable to capture the late setting times of cements due to mesh effects, this study offers the most effective solution yet on the problem. It is also the first time that creep and shrinkage have been modelled on a young evolving microstructure that is subjected to a time variable load.


Materials ◽  
2019 ◽  
Vol 12 (21) ◽  
pp. 3534 ◽  
Author(s):  
Corinne Charles Murgau ◽  
Andreas Lundbäck ◽  
Pia Åkerfeldt ◽  
Robert Pederson

In the present study, the gas tungsten arc welding wire feed additive manufacturing process is simulated and its final microstructure predicted by microstructural modelling, which is validated by microstructural characterization. The Finite Element Method is used to solve the temperature field and microstructural evolution during a gas tungsten arc welding wire feed additive manufacturing process. The microstructure of titanium alloy Ti-6Al-4V is computed based on the temperature evolution in a density-based approach and coupled to a model that predicts the thickness of the α lath morphology. The work presented herein includes the first coupling of the process simulation and microstructural modelling, which have been studied separately in previous work by the authors. In addition, the results from simulations are presented and validated with qualitative and quantitative microstructural analyses. The coupling of the process simulation and microstructural modeling indicate promising results, since the microstructural analysis shows good agreement with the predicted alpha lath size.


2018 ◽  
Vol 163 ◽  
pp. 912-920 ◽  
Author(s):  
Shashank Bishnoi ◽  
Shiju Joseph ◽  
Amarpreet Kaur

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