1,266 research outputs found
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Advances and Challenges in Computational Research of Micro and Nano Flows
This paper was presented at the 4th Micro and Nano Flows Conference (MNF2014), which was held at University College, London, UK. The conference was organised by Brunel University and supported by the Italian Union of Thermofluiddynamics, IPEM, the Process Intensification Network, the Institution of Mechanical Engineers, the Heat Transfer Society, HEXAG - the Heat Exchange Action Group, and the Energy Institute, ASME Press, LCN London Centre for Nanotechnology, UCL University College London, UCL Engineering, the International NanoScience Community, www.nanopaprika.eu.This paper presents a collective overview of recent studies regarding the computational modelling
of micro- and nano-fluidic systems. The review provides an introduction to atomistic, mesoscale and hybrid
methods for simulating micro and nano-flows, as well as discusses recent applications and results from the
application of such methods
Recommended from our members
Geometric Numerical Integration (hybrid meeting)
The topics of the workshop
included interactions between geometric numerical integration and numerical partial differential equations;
geometric aspects of stochastic differential equations;
interaction with optimisation and machine learning;
new applications of geometric integration in physics;
problems of discrete geometry, integrability, and algebraic aspects
BioSimulator.jl: Stochastic simulation in Julia
Biological systems with intertwined feedback loops pose a challenge to
mathematical modeling efforts. Moreover, rare events, such as mutation and
extinction, complicate system dynamics. Stochastic simulation algorithms are
useful in generating time-evolution trajectories for these systems because they
can adequately capture the influence of random fluctuations and quantify rare
events. We present a simple and flexible package, BioSimulator.jl, for
implementing the Gillespie algorithm, -leaping, and related stochastic
simulation algorithms. The objective of this work is to provide scientists
across domains with fast, user-friendly simulation tools. We used the
high-performance programming language Julia because of its emphasis on
scientific computing. Our software package implements a suite of stochastic
simulation algorithms based on Markov chain theory. We provide the ability to
(a) diagram Petri Nets describing interactions, (b) plot average trajectories
and attached standard deviations of each participating species over time, and
(c) generate frequency distributions of each species at a specified time.
BioSimulator.jl's interface allows users to build models programmatically
within Julia. A model is then passed to the simulate routine to generate
simulation data. The built-in tools allow one to visualize results and compute
summary statistics. Our examples highlight the broad applicability of our
software to systems of varying complexity from ecology, systems biology,
chemistry, and genetics. The user-friendly nature of BioSimulator.jl encourages
the use of stochastic simulation, minimizes tedious programming efforts, and
reduces errors during model specification.Comment: 27 pages, 5 figures, 3 table
Collaborative research: ITR: global multi-scale kinetic simulations of the earth's magnetosphere using parallel discrete event simulation
Issued as final reportNational Science Foundation (U.S.
Reengineering Aircraft Structural Life Prediction Using a Digital Twin
Reengineering of the aircraft structural life prediction process to fully exploit advances in very high performance digital computing is proposed. The proposed process utilizes an ultrahigh fidelity model of individual aircraft by tail number, a Digital Twin, to integrate computation of structural deflections and temperatures in response to flight conditions, with resulting local damage and material state evolution. A conceptual model of how the Digital Twin can be used for predicting the life of aircraft structure and assuring its structural integrity is presented. The technical challenges to developing and deploying a Digital Twin are discussed in detail
The FADE mass-stat:A technique for inserting or deleting particles in molecular dynamics simulations
The emergence of new applications of molecular dynamics (MD) simulation calls for the development of mass-statting procedures that insert or delete particles on-the-fly. In this paper we present a new mass-stat which we term FADE, because it gradually âfades-inâ (inserts) or âfades-outâ (deletes) molecules over a short relaxation period within a MD simulation. FADE applies a time-weighted relaxation to the intermolecular pair forces between the inserting/deleting molecule and any neighbouring molecules. The weighting function we propose in this paper is a piece-wise polynomial that can be described entirely by two parameters: the relaxation time scale and the order of the polynomial. FADE inherently conserves overall system momentum independent of the form of the weighting function. We demonstrate various simulations of insertions of atomic argon, polyatomic TIP4P water, polymer strands, and C60 Buckminsterfullerene molecules. We propose FADE parameters and a maximum density variation per insertion-instance that restricts spurious potential energy changes entering the system within desired tolerances. We also demonstrate in this paper that FADE compares very well to an existing insertion algorithm called USHER, in terms of accuracy, insertion rate (in dense fluids), and computational efficiency. The USHER algorithm is applicable to monatomic and water molecules only, but we demonstrate that FADE can be generally applied to various forms and sizes of molecules, such as polymeric molecules of long aspect ratio, and spherical carbon fullerenes with hollow interiors
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