Search results for "Function"
showing 10 items of 14432 documents
Free energy and states of fractional-order hereditariness
2014
AbstractComplex materials, often encountered in recent engineering and material sciences applications, show no complete separations between solid and fluid phases. This aspect is reflected in the continuous relaxation time spectra recorded in cyclic load tests. As a consequence the material free energy cannot be defined in a unique manner yielding a significative lack of knowledge of the maximum recoverable work that can extracted from the material. The non-uniqueness of the free energy function is removed in the paper for power-laws relaxation/creep function by using a recently proposed mechanical analogue to fractional-order hereditariness.
A computational framework for low-cycle fatigue in polycrystalline materials
2021
Abstract A three-dimensional framework for low-cycle fatigue analysis of polycrystalline aggregates is proposed in this work. First, a cohesive law coupling plasticity and damage is developed for modelling cycle-by-cycle degradation of material interfaces up to complete de-cohesion and failure. The law may model both quasi-static degradation under increasing monotonic load and degradation under cyclic loading, through a coupled plasticity-damage model whose activation and flow rules are formulated in a thermodynamically consistent framework. The proposed interface laws have been then implemented and coupled with a multi-region boundary element formulation, with the aim of analysing low-cycl…
Ab initio molecular dynamics studies of Au38(SR)24 isomers under heating
2019
Despite the great success in achieving monodispersity for a great number of monolayer-protected clusters, to date little is known about the dynamics of these ultra-small metal systems, their decomposition mechanisms, and the energy that separates their structural isomers. In this work, we use density functional theory (DFT) to calculate and compare the ground state energy and the Born-Oppenheimer molecular dynamics of two well-known Au 38 (SCH 2 CH 2 Ph) 24 nanocluster isomers. The aim is to shed light on the energy difference between the two clusters isomers and analyze their decomposition mechanisms triggered by high temperatures. The results demonstrate that the energy that separates the…
Theorems of restricted dynamic shakedown
1993
Abstract Dynamic shakedown for a rate-independent material with internal variables is addressed in the hypothesis that the load values are restricted to those of a specified load history of finite or even infinite duration, thus ruling out the possibility—typical of classical shakedown theory—of indefinite load repetitions. Instead of the usual approach to dynamic shakedown, based on the bounded plastic work criterion, another approach is adopted here, based on the adaptation time criterion. Static, kinematic and mixed-form theorems are presented, which characterize the minimum adaptation time (MAT), a feature of the structure-load system, but which are also able to assess whether plastic w…
Chain Connectivity and Conformational Variability of Polymers: Clues to an Adequate Thermodynamic Description of Their Solutions, 1
2003
This is the first of two parts investigating the Flory-Huggins interaction parameter, χ, as a function of composition and chain length. Part 1 encompasses experimental and theorical work. The former comprise the synthesis of poly(dimethylsiloxane)s with different molar mass and the measurements of their second second osmotic virial coefficients, A 2 , in solvents of diverse quality as a function of M via light scattering and osmotic pressures. The theorical analysis is performed by subdividing the dilution process into two clearly separable steps. It yields the following expression for χ ο , the χ value in range of pair interaction : χ ο = α - ζ λ. The parameter α measures the effect of con…
Input-to-State Stability of Lur’e Hyperbolic Distributed Complex-Valued Parameter Control Systems: LOI Approach
2013
Published version of an article in the journal: Mathematical Problems in Engineering. Also available from the publisher at: http://dx.doi.org/10.1155/2013/364057 Open access In this work, input-to-state stability of Lur'e hyperbolic distributed complex-valued parameter control systems has been addressed. Using comparison principle, delay-dependent sufficient conditions for the input-to-state stability in complex Hilbert spaces are established in terms of linear operator inequalities. Finally, numerical computation illustrates our result.
Translocation time of periodically forced polymer chains.
2010
6 páginas, 11 figuras.-- PACS number(s): 36.20.-r, 05.40.-a, 87.15.A-, 87.10.-e
Some insights on the description of gradient elution in reversed-phase liquid chromatography
2014
The so-called "fundamental equation for gradient elution" has been used for modeling the retention in gradient elution. In this approach, the instantaneous retention factor (k) is expressed as a function of the change in the modifier content (φ(ts )), ts being the time the solute has spent in the stationary phase. This approach can only be applied at constant flow rate and with gradients where the elution strength depends on the column length following a f(t-l/u) function, u being the linear mobile phase flow rate, and l the distance from the column inlet to the location where the solute is at time t measured from the beginning of the gradient. These limitations can be solved by using the h…
A study of Wigner functions for discrete-time quantum walks
2013
We perform a systematic study of the discrete time Quantum Walk on one dimension using Wigner functions, which are generalized to include the chirality (or coin) degree of freedom. In particular, we analyze the evolution of the negative volume in phase space, as a function of time, for different initial states. This negativity can be used to quantify the degree of departure of the system from a classical state. We also relate this quantity to the entanglement between the coin and walker subspaces.
Estimating the temperature evolution of foodstuffs during freezing with a 3D meshless numerical method
2015
Abstract Freezing processes are characterised by sharp changes in specific heat capacity and thermal conductivity for temperatures close to the freezing point. This leads to strong nonlinearities in the governing PDE that may be difficult to resolve using traditional numerical methods. In this work we present a meshless numerical method, based on a local Hermite radial basis function collocation approach in finite differencing mode, to allow the solution of freezing problems. By introducing a Kirchhoff transformation and solving the governing equations in Kirchhoff space, the strength of nonlinearity is reduced while preserving the structure of the heat equation. In combination with the hig…