Joint Innovation Investment and Pricing Decisions In Retail Supply Chains With Customer Value

In the retail industry, customer value has become the key to maintaining competitive advantages. In the era of new retail, customer value is not only affected by the product price, but it is also closely related to innovations, such as value‐added services and unique business models. In this paper, we study the joint innovation investment and pricing decisions in a retailer–supplier supply chain based on revenue sharing contracts and customer value. We first find that, in the non-cooperative game, equilibrium only exists in the supplier Stackelberg game. However, revenue sharing contracts cannot coordinate the supply chain in the non‐cooperative game. By considering supply chain members’ bargaining power, we find that there exists a unique equilibrium for the Nash bargaining product. In addition, revenue sharing contracts can coordinate the supply chain and achieve the optimal consumer surplus. When the supply chain is coordinated, supply chain profit is allocated to the supply chain members based on their bargaining powers

Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of N-Dealkylation of N,N-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant FeIV(O)(N4Py)(ClO4)2

The oxidative C-H bond activation mediated by heme and nonheme enzymes and related biomimetics is one of the most interesting processes in bioinorganic and oxidative chemistry. However, the mechanisms of these reactions are still elusive and controversy due to the involvement of highly reactive metal-oxo intermediates with multiple spin states, despite extensive experimental efforts, especially for the N-dealkylation of N,N-dialkyalinines. In this work, we employed multistate density functional theory (MSDFT) and the Kohn-Sham DFT to investigate the mechanism of N-demethylation of N,N-dimethyalinines oxidized by the reaction intermediate FeIV(O)(N4Py)(ClO4)2. The Kohn-Sham DFT study demonstrated that the reaction proceeds via a rate-limiting hydrogen atom transfer (HAT) step and a subsequent barrier-free oxygen rebound step to form the carbinol product. The MSDFT investigation on the first C-H activation further showed that this step is an initial hydrogen atom abstraction that is highly correlated between CEPT and HAT, i.e., both CEPT and HAT processes make significant contributions to the mechanism before reaching the diabatic crossing point, then the valence bond character of the adiabatic ground state is switched to the CEPT product configuration. The findings from this work may be applicable to other hydrogen abstraction process

Self-Stable Precipitation Polymerization Molecular Entanglement Effect and Molecular Weight Simulations and Experiments

In this paper, we developed a reactive molecular dynamics (RMD) scheme to simulate the Self-Stable Precipitation (SP) polymerization of 1-pentene and cyclopentene (C5) with maleic anhydride (MAn) in an all-atom resolution. We studied the chain propagation mechanism by tracking the changes in molecular conformation and analyzing end-to-end distance and radius of gyration. The results show that the main reason of chain termination in the reaction process was due to intramolecular cyclic entanglement, which made the active center wrapped in the center of the globular chain. After conducting the experiment in the same condition with the simulation, we found that the distribution trend and peak value of the molecular-weight-distribution curve in the simulation were consistent with experimental results. The simulated number average molecular weight (Mn) and weight average molecular weight (Mw) were in good agreement with the experiment. Moreover, the simulated molecular polydispersity index (PDI) for cyclopentene reaction with maleic anhydride was accurate, differing by 0.04 from the experimental value. These show that this model is suitable for C5–maleic anhydride self-stable precipitation polymerization and is expected to be used as a molecular weight prediction tool for other maleic anhydride self-stable precipitation polymerization system

Review on the application of freeway CVIS communication technology

This paper mainly describes the research progress of Cooperative Vehicle Infrastructure System (CVIS) communication technology in freeway. The application status of short-range real-time communication technology and intermediate-range interactive communication technology in different scenarios of freeway CVIS are discussed respectively. This paper summarizes the existing problems in the research of CVIS communication technology from two aspects of technology application and network security. The research shows that in the future, machine learning, deep learning and other methods can be used to automatically detect network intrusion and deal with unknown attacks; In the future, the CVIS communication technology will adopt channel coding technology and encryption technology to improve the security of wireless network; With the development of 5G technology, the Internet of Vehicles(IOV) will usher in new opportunities. In the future, the freeway communication network will be a heterogeneous wireless network with multiple access networks, which can meet the application requirements in different road traffic scenarios, effectively promote the construction of freeway informatization and accelerate the construction process of smart freeway

Review on the application of freeway CVIS communication technology

This paper mainly describes the research progress of Cooperative Vehicle Infrastructure System (CVIS) communication technology in freeway. The application status of short-range real-time communication technology and intermediate-range interactive communication technology in different scenarios of freeway CVIS are discussed respectively. This paper summarizes the existing problems in the research of CVIS communication technology from two aspects of technology application and network security. The research shows that in the future, machine learning, deep learning and other methods can be used to automatically detect network intrusion and deal with unknown attacks; In the future, the CVIS communication technology will adopt channel coding technology and encryption technology to improve the security of wireless network; With the development of 5G technology, the Internet of Vehicles(IOV) will usher in new opportunities. In the future, the freeway communication network will be a heterogeneous wireless network with multiple access networks, which can meet the application requirements in different road traffic scenarios, effectively promote the construction of freeway informatization and accelerate the construction process of smart freeway

Simulation and validation of heat transfer during wood heat treatment process

Heat treatment can substantially improve the quality of wood materials. Temperature is the most important factor during heat treatment affecting the properties of boards, so optimizing the treatment process should include careful investigation of thermal transfer phenomena. In this work, the transient heat transfer characteristics during the heat treatment of wood at 120 °C, 150 °C, and 180 °C were numerically studied per the temperature distribution and variation in sample boards. The heat transfer model was established by comparative analysis of the experimental data and simulation data. ANSYS software was used to simulate heat transfer during the process of wood heat treatment; simulation results were consistent with experimental results at average relative error within 5%. This accurate simulation of heat transfer within wood samples provides useful insight into the heat transfer mechanisms. Keywords: High temperature treatment, Thermal transfer, Wood, Temperature distribution, Simulatio

Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory

We describe a diabatic-at-construction (DAC) strategy for defining diabatic states to determine the adiabatic ground and excited electronic states and their potential energy surfaces using the multistate density functional theory (MSDFT). The DAC approach differs in two fundamental ways from the adiabatic-to-diabatic (ATD) procedures that transform a set of preselected adiabatic electronic states to a new representation. (1) The DAC states are defined in the first computation step to form an active space, whose configuration interaction produces the adiabatic ground and excited states in the second step of MSDFT. Thus, they do not result from a similarity transformation of the adiabatic states as in the ATD procedure; they are the basis for producing the adiabatic states. The appropriateness and completeness of the DAC active space can be validated by comparison with experimental observables of the ground and excited states. (2) The DAC diabatic states are defined using the valence bond characters of the asymptotic dissociation limits of the adiabatic states of interest, and they are strictly maintained at all molecular geometries. Consequently, DAC diabatic states have specific and well-defined physical and chemical meanings that can be used for understanding the nature of the adiabatic states and their energetic components. Here we present results for the four lowest singlet states of LiH and compare them to a well-tested ATD diabatization method, namely the 3-fold way; the comparison reveals both similarities and differences between the ATD diabatic states and the orthogonalized DAC diabatic states. Furthermore, MSDFT can provide a quantitative description of the ground and excited states for LiH with multiple strongly and weakly avoided curve crossings spanning over 10 Å of interatomic separation