Search results for " Soft"
showing 10 items of 1710 documents
Depletion induced isotropic-isotropic phase separation in suspensions of rod-like colloids
2007
When non-adsorbing polymers are added to an isotropic suspension of rod-like colloids, the colloids effectively attract each other via depletion forces. We performed Monte Carlo simulations to study the phase diagram of such rod-polymer mixture. The colloidal rods were modeled as hard spherocylinders; the polymers were described as spheres of the same diameter as the rods. The polymers may overlap with no energy cost, while the overlap of polymers and rods is forbidden. Large amounts of depletant cause phase separation of the mixture. We estimated the phase boundaries of isotropic-isotropic coexistence both in the bulk and in confinement. To determine the phase boundaries we applied the gra…
Effect of mixing and spatial dimension on the glass transition
2009
We study the influence of composition changes on the glass transition of binary hard disc and hard sphere mixtures in the framework of mode coupling theory. We derive a general expression for the slope of a glass transition line. Applied to the binary mixture in the low concentration limits, this new method allows a fast prediction of some properties of the glass transition lines. The glass transition diagram we find for binary hard discs strongly resembles the random close packing diagram. Compared to 3D from previous studies, the extension of the glass regime due to mixing is much more pronounced in 2D where plasticization only sets in at larger size disparities. For small size disparitie…
Mode-coupling theory of the glass transition for confined fluids
2012
We present a detailed derivation of a microscopic theory for the glass transition of a liquid enclosed between two parallel walls relying on a mode-coupling approximation. This geometry lacks translational invariance perpendicular to the walls, which implies that the density profile and the density-density correlation function depends explicitly on the distances to the walls. We discuss the residual symmetry properties in slab geometry and introduce a symmetry adapted complete set of two-point correlation functions. Since the currents naturally split into components parallel and perpendicular to the walls the mathematical structure of the theory differs from the established mode-coupling eq…
Soft Sensor Transferability between Lines of a Sulfur Recovery Unit
2021
Abstract Soft Sensors (SSs) are mathematical models that allow real-time estimation of hard-to-measure variables as a function of easy-to-measure ones in an industrial process, emulating the behavior of existing sensors when they are, for instance, taken off for maintenance. The Sulfur Recovery Unit (SRU) from a refinery is taken in exam. Recurrent Neural Networks (RNN) can capture the nonlinearity of such process but present a high complexity training and a very time-consuming structure optimization. For this reason, strategies to use pre-existing models are here examined by testing the transferability of the SSs between two parallel lines of the process.
Iterative Reconstruction of Memory Kernels.
2017
In recent years, it has become increasingly popular to construct coarse-grained models with non-Markovian dynamics to account for an incomplete separation of time scales. One challenge of a systematic coarse-graining procedure is the extraction of the dynamical properties, namely, the memory kernel, from equilibrium all-atom simulations. In this article, we propose an iterative method for memory reconstruction from dynamical correlation functions. Compared to previously proposed noniterative techniques, it ensures by construction that the target correlation functions of the original fine-grained systems are reproduced accurately by the coarse-grained system, regardless of time step and disc…
A penalty-based finite element interface technology
2002
Abstract An effective and robust interface element technology able to connect independently modeled finite element subdomains is presented. This method has been developed using the penalty constraints and allows coupling of finite element models whose nodes do not coincide along their common interface. Additionally, the present formulation leads to a computational approach that is very efficient and completely compatible with existing commercial software. A significant effort has been directed toward identifying those model characteristics (element geometric properties, material properties and loads) that most strongly affect the required penalty parameter, and subsequently to developing si…
Optimal placement of 3D sensors considering range and field of view
2017
This paper describes a novel approach to the problem of optimal placement of 3D sensors in a specified volume of interest. The coverage area of the sensors is modelled as a cone having limited field of view and range. The volume of interest is divided into many, smaller cubes each having a set of associated Boolean and continuous variables. The proposed method could be easily extended to handle the case where certain sub-volumes must be covered by several sensors (redundancy), for example ex-zones, regions where humans are not allowed to enter or regions where machine movement may obstruct the view of a single sensor. The optimisation problem is formulated as a Mixed-Integer Linear Program …
General Concepts in Metaheuristic Search
2017
Metaheuristics have become a very popular family of solution methods for optimization problems because they are capable of finding “acceptable” solutions in a “reasonable” amount of time. Most optimization problems in practice are too complex to be approached by exact methods that can guarantee finding global optimal solutions. The time required to find and verify globally optimal solutions is impractical in most applications. An entire computational theory, which we will not discussed here, has been developed around problem complexity. It suffices to say that it is now known that the great majority of the optimization problems found in practice fall within a category that makes them “compu…
A Projected Algebraic Multigrid Method for Linear Complementarity Problems
2011
We present an algebraic version of an iterative multigrid method for obstacle problems, called projected algebraic multigrid (PAMG) here. We show that classical AMG algorithms can easily be extended to deal with this kind of problem. This paves the way for efficient multigrid solution of obstacle problems with partial differential equations arising, for example, in financial engineering.
Context-Independent Scatter and Tabu Search for Permutation Problems
2005
In this paper, we develop a general-purpose heuristic for permutations problems. The procedure is based on the scatter-search and tabu-search methodologies and treats the objective-function evaluation as a black box, making the search algorithm context-independent. Therefore, our main contribution consists of the development and testing of a procedure that uses no knowledge from the problem context to search for the optimal solution. We perform computational experiments with four well-known permutation problems to study the efficiency and effectiveness of the proposed method. These experiments include a comparison with two commercially available software packages that are also based on met…