Time reversibility of the discrete element method

An algorithm is presented for discrete element method simulations of energy-conserving systems of frictionless, spherical particles in a reversed-time frame. This algorithm is verified, within the limits of round-off error, through implementation in the LAMMPS code. Mechanisms for energy dissipation such as interparticle friction, damping, rotational resistance, particle crushing, or bond breakage cannot be incorporated into this algorithm without causing time irreversibility. This theoretical development is applied to critical-state soil mechanics as an exemplar. It is shown that the convergence of soil samples, which differ only in terms of their initial void ratio, to the same critical state requires the presence of shear forces and frictional dissipation within the soil system.     

Influence of pores arrangement on stability of photonic structures during sintering

Discrete Element Method (DEM) has been used for numerical investigation of sintering-induced structural deformations occurring in inverse opal photonic structures. The influence of the initial arrangement of template particles on the stability of highly porous inverse opal α-Al₂O₃ structures has been analyzed. The material transport, densification, as well as formation of defects and cracks have been compared for various case studies. Three different stages of defects formation have been distinguished starting with local defects ending with intrapore cracks. The results show that the packing of the template particles defined during the template self-assembly process play a crucial role in the later structural deformation upon thermal exposure. The simulation results are in very good agreement with experimental data obtained from SEM images and previous studies by ptychographic X-ray tomography.     

Damage identification in concrete using impact non-linear reverberation spectroscopy

High amplitude non-linear acoustic methods have shown potential for the identification of micro damage in brittle materials such as concrete. Commonly, these methods evaluate a non-linearity parameter from the relative change in frequency and attenuation with strain amplitude. Here, a novel attenuation model is introduced to describe the free reverberation from a standard impact resonance frequency test, together with an algorithm for estimating the unknown model coefficients. The non-linear variation can hereby by analyzed over a wider dynamic range as compared to conventional methods. The experimental measurement is simple and fully compatible with the standardized free-free linear impact frequency test.     

THE effect of Srandom DOPANT fluctuation on threshold voltage and drain current variation in junctionless nanotransistors

We investigate the effect of dopant random fluctuation on threshold voltage and drain current variation in a two-gate nanoscale transistor. We used a quantum-corrected technology computer aided design simulation to run the simulation (10000 randomizations). With this simulation, we could study the effects of varying the dimensions (length and width), and thicknesses of oxide and dopant factors of a transistor on the threshold voltage and drain current in subthreshold region (off) and overthreshold (on). It was found that in the subthreshold region the variability of the drain current and threshold voltage is relatively fixed while in the overthreshold region the variability of the threshold voltage and drain current decreases remarkably, despite the slight reduction of gate voltage diffusion (compared with that of the subthreshold). These results have been interpreted by using previously reported models for threshold current variability, load displacement, and simple analytical calculations. Scaling analysis shows that the variability of the characteristics of this semiconductor increases as the effects of the short channel increases. Therefore, with a slight increase of length and a reduction of width, oxide thickness, and dopant factor, we could correct the effect of the short channel.     

Formulation of sage essential oil (Salvia officinalis,L.) monoterpenes into chitosan hydrogels and permeation study with GC-MS analysis

This study deals with the formulation of natural drugs into hydrogels. For the first time, compounds from the sage essential oil were formulated into chitosan hydrogels. A sample preparation procedure for hydrophobic volatile analytes present in a hydrophilic water matrix along with an analytical method based on the gas chromatography coupled with the mass spectrometry (GC-MS) was developed and applied for the evaluation of the identity and quantity of essential oil components in the hydrogels and saline samples. The experimental results revealed that the chitosan hydrogels are suitable for the formulation of sage essential oil. The monoterpene release can be effectively controlled by both chitosan and caffeine concentration in the hydrogels. Permeation experiment, based on a hydrogel with the optimized composition [3.5% (w/w) sage essential oil, 2.0% (w/w) caffeine, 2.5% (w/w) chitosan and 0.1% (w/w) Tween-80] in donor compartment, saline solution in acceptor compartment, and semi-permeable cellophane membrane, demonstrated the useful permeation selectivity. Here, (according to lipophilicity) an enhanced permeation of the bicyclic monoterpenes with antiflogistic and antiseptic properties (eucalyptol, camphor and borneol) and, at the same time, suppressed permeation of toxic thujone (not exceeding its permitted applicable concentration) was observed. These properties highlight the pharmaceutical importance of the developed chitosan hydrogel formulating sage essential oil in the dermal applications.     

Sol–gel synthesis of Nd-doped BiFeO3 multiferroic and its characterization

Neodymium doped bismuth ferrite (BiFeO₃, BFO) nanoparticles were successfully synthesized by a facile sol–gel route. The influence of annealing temperature, time, Bi content and solvent on the crystal structure of BFO was studied. Results indicated that the optimum processing condition of BFO products was 550–600 °C/1.5 h with excess 3–6% Bi and ethylene glycol as solvent. On the other hand, Nd³⁺ ion was introduced into the BFO system and the effect of Nd³⁺ concentration on the structure, magnetic and dielectric properties of BFO were investigated. It was found that the magnetization of BFO was enhanced significantly with Nd³⁺ substitution, being attributed to the suppression of the spiral cycloidal magnetic structure led by the crystal structure transition. Furthermore, with increasing Nd³⁺ content, the dielectric constant was found to decrease while the dielectric loss was enhanced, which was mainly due to the hoping conduction mechanism with the reduction of oxygen vacancies.     

Fully coupled LES-DEM of particle interaction and agglomeration in a turbulent channel flow

Coupled large eddy simulation and the discrete element method are applied to study turbulent particle–laden flows, including particle dispersion and agglomeration, in a channel. The particle–particle interaction model is based on the Hertz–Mindlin approach with Johnson–Kendall–Roberts cohesion to allow the simulation of van der Waals forces in a dry air flow. The influence of different particle surface energies, and the impact of fluid turbulence, on agglomeration behaviour are investigated. The agglomeration rate is found to be strongly influenced by the particle surface energy, with a positive relationship observed between the two. Particle agglomeration is found to be enhanced in two separate regions within the channel. First, in the near-wall region due to the high particle concentration there driven by turbophoresis, and secondly in the buffer region where the high turbulence intensity enhances particle–particle interactions.     

综放高瓦斯矿井煤层瓦斯涌出量综合预测

为了成功预测竹林山煤矿综放高瓦斯矿井大采高工作面煤层瓦斯涌出量,以主采3号煤层为主要研究对象,针对3号煤层以往开采情况,通过布设测点测量其煤层瓦斯含量和了解相邻矿井瓦斯含量,采用分源预测法、回归法及统计法等预测方法得到了3号煤层瓦斯含量的分布规律,并绘制了3号煤层的瓦斯含量等值线图。对矿井不同生产时期的瓦斯含量进行预测,得到了生产前期、中期及后期采区的最大绝对瓦斯涌出量和最大相对瓦斯涌出量,说明了竹林山煤矿各个时期均属于高瓦斯矿井。