Numerical simulation of the effect of grain fragmentation on the evolution of microstructure quantities

Meccanica - In this paper the effect of grain fragmentation of a cohesionless granular material on the change of microstructure quantities is investigated using a micropolar continuum model. To...     

Concurrence and Quantum Discord in the Eigenstates of Chaotic and Integrable Spin Chains

There has been some substantial research about the connections between quantum chaos and quantum correlations in many-body systems. This paper discusses a specific aspect of correlations in chaotic spin models, through concurrence (CC) and quantum discord (QD). Numerical results obtained in the quantum chaos regime and in the integrable regime of spin-1/2 chains are compared. The CC and QD between nearest-neighbor pairs of spins are calculated for all energy eigenstates. The results show that, depending on whether the system is in a chaotic or integrable regime, the distribution of CC and QD are markedly different. On the other hand, in the integrable regime, states with the largest CC and QD are found in the middle of the spectrum, in the chaotic regime, the states with the strongest correlations are found at low and high energies at the edges of spectrum. Finite-size effects are analyzed, and some of the results are discussed in the light of the eigenstate thermalization hypothesis.     

Zn and Zr co-doped M-type strontium hexaferrite: Synthesis,characterization and hyperthermia application

In the present study, hard ferromagnetic (M-type strontium hexaferrite) SrFe₁₂O₁₉ was co-doped by Zn and Zr for magnetic hyperthermia applications. As a result of the high concentration of single domain SrFe₁₂O₁₉ nanoparticles (suspended in the ferrofluid), they found a large hydrodynamic diameter, which caused a long-time Brownian relaxation under the AC magnetic field. On the other hand, increasing the Zn-Zr content (low concentration of SrFe₁₂O₁₉) led to a drop in anisotropy, which coincided with a short-time N´eel relaxation. All of the substituted samples with a multi-disperse state in ferrofluid exhibited an almost equal amount of the N´eel and Brownian effects. Consequently, the magnetic saturation (M_s) was considered as the dominant factor in the specific absorption rate (SAR) of the substituted samples. Transformation to the mono-disperse state was followed by the decrease of the Brownian relaxation time and hence the increase of the SAR. The interesting point in mono-disperse state was the heat generation of pure SrFe₁₂O₁₉ under the AC magnetic field as a result of the decrement of the Brownian relaxation time.     

Structural properties of Zinc Lithium borate glass

Zinc Lithium Borate glasses of different composition were prepared with the aim of using it for thermoluminescence dosimetry. Melt quenching method was adopted in this process. Fourier transform Infrared (FTIR) spectroscopy and UV-vis-NIR spectroscopy techniques were employed to investigate the infrared spectra and energy band gap of different composition of Zinc Lithium Borate glasses. X-ray diffraction analysis was used to confirm the amorphous nature of the glass samples. Glass forming ability and stability of the glass was checked using Differential thermal analysis (DTA). Density, molar volume, refractive index parameters have been analyzed in the light of different concentration of the modifier. The active vibrational modes of 1200–1600 cm^?1 for B-O stretching of BO₃ units, 800–1200 cm^?1 for B-O stretching of BO₄ units and 400–800 cm^?1 for bending vibration of various borate segments were detected. Addition of ZnO to lithium borate shows its influence in converting the dominant BO₃ group to BO₄ group. BO₄ are known for creating complex defects, a situation that established deep and stable traps good for thermoluminescence phenomena. From optical data, direct and indirect energy band gap has been calculated using the data obtained from UV-vis-NIR spectroscopy. Both direct and indirect band gaps decrease with the increase of modifier Li₂CO₃.     

Resource allocation in dynamic PERT networks with finite capacity

This article models the resource allocation problem in dynamic PERT networks with finite capacity of concurrent projects (COnstant Number of Projects In Process (CONPIP)), where activity durations are independent random variables with exponential distributions, and the new projects are generated according to a Poisson process. The system is represented as a queuing network with finite concurrent projects, where each activity of a project is performed at a devoted service station with one server located in a node of the network. For modeling dynamic PERT networks with CONPIP, we first convert the network of queues into a stochastic network. Then, by constructing a proper finite-state continuous-time Markov model, a system of differential equations is created to solve and find the completion time distribution for any particular project. Finally, we propose a multi-objective model with three conflict objectives to optimally control the resources allocated to the servers, and apply the goal attainment method to solve a discrete-time approximation of the original multi-objective problem.     

Natural convection in a square cavity containing a nanofluid and an adiabatic square block at the center

The problem of free convection fluid flow and heat transfer of Cu–water nanofluid inside a square cavity having adiabatic square bodies at its center has been investigated numerically. The governing equations have been discretized using the finite volume method. The SIMPLER algorithm was employed to couple velocity and pressure fields. Using the developed code, a parametric study was conducted and the effects of pertinent parameters such as Rayleigh number, size of the adiabatic square body, and volume fraction of the Cu nanoparticles on the fluid flow and thermal fields and heat transfer inside the cavity were investigated. The obtained results show that for all Rayleigh numbers with the exception of Ra = 10⁴ the average Nusselt number increases with increase in the volume fraction of the nanoparticles. At Ra = 10⁴ the average Nusselt number is a decreasing function of the nanoparticles volume fraction. Moreover at low Rayleigh numbers (10³ and 10⁴) the rate of heat transfer decreases when the size of the adiabatic square body increases while at high Rayleigh numbers (10⁵ and 10⁶) it increases.     

Understanding the Mechanocatalytic Conversion of Biomass: A Low‐Energy One‐Step Reaction Mechanism by Applying Mechanical Force

On the way to establishing biomass as a renewable and environmentally friendly source to cover the ever‐increasing global demand on energy and chemicals, one great challenge is the efficient depolymerization of cellulose. Enhanced conversion rates have been discovered in ball‐milling experiments, thus opening a mechanocatalytic approach. However, an understanding of the impact of mechanical forces on the acid‐catalyzed cleavage of glycosidic bonds at the molecular level is still missing. Herein, we contribute such fundamental insight based on atomistic modeling. Mechanically stressing the macromolecular backbone radically changes the depolymerization pathway from a complex high‐barrier reaction upon thermal activation to a low‐energy single‐step mechanocatalytic process. In addition to revealing a regioselective increase in basicity under a mechanical force, our results provide molecular‐level explanations of the experimental findings and might therefore guide rational ways to improve such mechanocatalytic processes.