Search results for " Simulation"

Explicit proton transfer in classical molecular dynamics simulations.

2014

We present Hydrogen Dynamics (HYDYN), a method that allows explicit proton transfer in classical force field molecular dynamics simulations at thermodynamic equilibrium. HYDYN reproduces the characteristic properties of the excess proton in water, from the special pair dance, to the continuous fluctuation between the limiting Eigen and Zundel complexes, and the water reorientation beyond the first solvation layer. Advantages of HYDYN with respect to existing methods are computational efficiency, microscopic reversibility, and easy parameterization for any force field peerReviewed

Scheduling under the network of temporo-spatial proximity relationships

2017

We discuss and introduce to the schedulingeld a novel, qualitative optimization model - scheduling under the network of temporo-spatial proximity relationships.We introduce a half perimeter proximity measure as an objective of scheduling.We present and evaluate an incremental Sequence Pair neighborhood evaluation algorithm, applicable to both scheduling and rectangle packing problems in VLSI industry. In this paper, we discuss and introduce to the scheduling field a novel optimization objective - half perimeter proximity measure in scheduling under the network of temporo-spatial proximity relationships. The presented approach enables to qualitatively express various reasons of scheduling ce…

Novel qutrit circuit design for multiplexer, De-multiplexer, and decoder

2022

AbstractDesigning conventional circuits present many challenges, including minimizing internal power dissipation. An approach to overcoming this problem is utilizing quantum technology, which has attracted significant attention as an alternative to Nanoscale CMOS technology. The reduction of energy dissipation makes quantum circuits an up-and-coming emerging technology. Ternary logic can potentially diminish the quantum circuit width, which is currently a limitation in quantum technologies. Using qutrit instead of qubit could play an essential role in the future of quantum computing. First, we propose two approaches for quantum ternary decoder circuit in this context. Then, we propose a qua…

Generalized wave propagation problems and discrete exterior calculus

2018

We introduce a general class of second-order boundary value problems unifying application areas such as acoustics, electromagnetism, elastodynamics, quantum mechanics, and so on, into a single framework. This also enables us to solve wave propagation problems very efficiently with a single software system. The solution method precisely follows the conservation laws in finite-dimensional systems, whereas the constitutive relations are imposed approximately. We employ discrete exterior calculus for the spatial discretization, use natural crystal structures for three-dimensional meshing, and derive a “discrete Hodge” adapted to harmonic wave. The numerical experiments indicate that the cumulat…

Design of Bilateral Switched Reluctance Linear Generator to Convert Wave Energy: Case Study in Sicily

2014

DEVELOPMENT OF A NEW SATURATED VAPOUR-ANODE, SATURATED VAPOUR-CATHODE AMTEC-LIKE DEVICE

Calibrazione dei parametri di qualità nelle reti di approvvigionamento idrico e caratterizzazione della diversità spaziale – applicazione ad un caso …

2007

Numerical simulation of non-equilibrium sediment transport in a flume

2012

Experimental Observation of a Large Low-Frequency Band Gap in a Polymer Waveguide

2018

The quest for large and low-frequency band gaps is one of the principal objectives pursued in a number of engineering applications, ranging from noise absorption to vibration control, and to seismic wave abatement. For this purpose, a plethora of complex architectures (including multiphase materials) and multiphysics approaches have been proposed in the past, often involving difficulties in their practical realization. To address the issue of proposing a material design that enables large band gaps using a simple configuration, in this study we propose an easy-to-manufacture design able to open large, low-frequency complete Lamb band gaps exploiting a suitable arrangement of masses and stif…

Multi-Energy School System for Seasonal Use in the Mediterranean Area

2020

School buildings represent an energy-consuming sector of real estate where different efficiency actions are necessary. The literature shows how the design of a multi-energy system offers numerous advantages, however, there are problems related to the integration of cogeneration units with renewable energy sources due to the low flexibility of the first one and the high degree of uncertainty of the latter. The authors provide an alternative solution through the analysis of a case study consisting of a multiple energy system in three Sicilian schools, focusing on the system&rsquo