On the molecular origin of the sensitivity to impact of cyclic nitramines

Nitramine explosives can combine relative insensitivity to initiation and great energy content. In this work, based on a previous approach developed for nitroaromatic explosives, we propose four mathematical models to correlate impact sensitivity, given by the h₅₀ value, to molecular charge properties. Fourteen cyclic nitramines were studied using Density Functional Theory (DFT). Six molecules of the set have measured h₅₀ values, which were used to evaluate the sensitivity models. Converged DFT charge densities of the molecules were partitioned and analyzed according to the distributed multipole analysis (DMA) atom-centered method. The sensitivity models were based on the DMA electric multipole values. The electron withdrawing role of the nitro group and the strong polarization of the charges of the nitrogen atom in the amine group were clearly identified. The influence of the electronic properties on the sensitivity of the explosives was characterized by including in the sensitivity models the charge values of the nitro or the nitramine groups and electron delocalization, the latter quantified by the DMA quadrupole values of the ring atoms. Inclusion of electron delocalization effects can improve the prediction of h₅₀ values for two out of the five strained-ring nitramines in the set. The charge values of the nitramine groups are the most important molecular property affecting the impact sensitivity. The h₅₀ values of eight nitramine explosives of the set not available experimentally were computed.     

Relations between kinetic parameters of different column models for liquid chromatography applying core-shell particles

This article presents analytical solutions of the general rate model (GRM), the lumped kinetic model (LKM), and the simpler equilibrium dispersive model (EDM) for core-shell particles and linear adsorption isotherms. The solutions in the Laplace domain are applied to derive analytical expressions for the temporal moments of these models. The results provide relations between the model specific kinetic parameters by matching one or more of the temporal moments. Several case studies are considered for illustration. The results show that simpler models are in many cases as good as the most detailed GRM if their kinetic parameters fulfill the matching relations. Thus, it is possible to reliably predict elution profiles using the simpler models. The derived analytical expressions can also be utilized to efficiently estimate model parameters from experimentally observed elution profiles to further optimize core-shell particles and to identify suitable column sizes and operating conditions.     

Early Universe in Scalar-Tensor Theory

We consider the flat Robertson–Walker model in scalar-tensor theory proposed by Lau and Prokhovnik. In this model, the field equations are solved by using “gamma-law” form of equation of state p=(γ−1)ρ, where the adiabatic parameter ‘gamma’ (γ) varies continuously as the universe expands. Our aim is to study how the adiabatic parameter γ should vary so that in the course of its evolution the universe goes through a transition from an inflationary to a radiation-dominated phase. A unified one parameter function of γ has been considered to describe the two early phases of evolution of universe. The solutions show the power-law expansion and cosmological constant is found to be positive and decreasing function of cosmic time. The solutions are compatible with the Dirac’s large number hypothesis. The deceleration parameter has been presented in a unified manner in terms of scale factor, which describes the inflation of the model. The nature of singularity and the physical properties have been discussed in details.     

Bianchi Type <Emphasis Type="Italic">VI</Emphasis><Subscript>0</Subscript> Magnetized Barotropic Bulk Viscous Fluid Massive String Universe in General Relativity

A model of a cloud formed by massive strings is studied in the context of the usual general relativity. This model is used as a source of Bianchi type VI ₀ massive with magnetic field and bulk viscosity. To get a determinate model, we assume that the expansion (θ) in the model is proportional to the shear (σ) and also the fluid obeys the barotropic equation of state. The behaviour of the models from physical and geometrical aspects in presence and absence of magnetic field and bulk viscosity is discussed.     

Speeds of sound and isothermal compressibility of ternary liquid systems: Application of Flory’s statistical theory and hard sphere models

Speeds of sound and densities of three ternary liquid systems namely, toluene + n-heptane + n-hexane (I), cyclohexane + n-heptane + n-hexane (II) and n-hexane + n-heptane + n-decane (III) have been measured as a function of the composition at 298.15 K at atmospheric pressure. The experimental isothermal compressibility has been evaluated from measured values of speeds of sound and density. The isothermal compressibility of these mixtures has also been computed theoretically using different models for hard sphere equations of state and Flory’s statistical theory. Computed values of isothermal compressibility have been compared with experimental findings. A satisfactory agreement has been observed. The superiority of Flory’s statistical theory has been established quite reasonably over hard sphere models.      

5G时代下的广电创新发展与商业模式分析

中国广电于2019年获得了5G牌照,由文化传媒行业进入电信领域,其在党性原则、政策红利、用户基础等方面具备优势,有机会利用后发优势,通过组网方式、发展理念、用户模式和时间计划等策略的落实,获得竞争优势。主要结合自身工作实践,探讨了中国广电在5G时代下创新发展思路与商业模式,从连接型运营商、解决方案推动者、解决方案创建者等模式进行分析,分析得知,中国广电只有从多角度把握5G带来的发展机遇,才能后来居上,在5G时代构建新的竞争优势。     

Reflection positivity and Levin–Wen models

We give a transparent algebraic formulation of our pictorial approach to the reflection positivity (RP), that we introduced in a previous paper. We apply this quantization to the $2+1$ Levin–Wen model to obtain $1+1$ anyonic/quantum spin chain theory on the boundary, possibly entangled in the bulk. The reflection positivity property has played a central role in both mathematics and physics, as well as providing a crucial link between the two subjects. In a previous paper we gave a new geometric approach to understanding reflection positivity in terms of pictures. Here we give a transparent algebraic formulation of our pictorial approach. We use insights from this translation to establish the reflection positivity property for the fashionable Levin–Wen models with respect both to vacuum and to bulk excitations. We believe these methods will be useful for understanding a variety of other problems.     

Dynamic Behaviour in Microcompartments

Compartmentalisation is recognised to be a primary step for the assembly of non-living matter towards the construction of life-like microensembles. To date, a host of hollow microcompartments with various functionalities have been widely developed. Within this respect, given that dynamic behaviour is one of the fundamental features to distinguish living ensembles from those that are non-living, the design and construction of microcompartments with various dynamic behaviours are attracting considerable interest from a wide range of research communities. Significantly, the created dynamic microcompartments could also be widely used as chassis for further bottom-up design towards building protocell models by integrating and booting up necessary biological information. Herein, strategies to install the various motility behaviours into microcompartments, including haptotaxis, chemotaxis and gravitaxis, are summarized in the anticipation of inspiring more designs towards creating various advanced active microcompartments, and contributing new techniques to the ultimate goal of constructing a basic living unit entirely from non-living components.     

Information percolation and cutoff for the random‐cluster model

We consider the random‐cluster model (RCM) on with parameters p∈(0,1) and q ≥ 1. This is a generalization of the standard bond percolation (with edges open independently with probability p) which is biased by a factor q raised to the number of connected components. We study the well‐known Fortuin‐Kasteleyn (FK)‐dynamics on this model where the update at an edge depends on the global geometry of the system unlike the Glauber heat‐bath dynamics for spin systems, and prove that for all small enough p (depending on the dimension) and any q>1, the FK‐dynamics exhibits the cutoff phenomenon at with a window size , where λ_∞ is the large n limit of the spectral gap of the process. Our proof extends the information percolation framework of Lubetzky and Sly to the RCM and also relies on the arguments of Blanca and Sinclair who proved a sharp mixing time bound for the planar version. A key aspect of our proof is the analysis of the effect of a sequence of dependent (across time) Bernoulli percolations extracted from the graphical construction of the dynamics, on how information propagates.