Chain Mode Research Articles

Construction of Integrated Management Model of Port Logistics Supply Chain Based on Big Data

Ouyang, F., 2019. Construction of integrated management model of port logistics supply chain based on big data. In: Guido-Aldana, P.A. and Mulahasan, S. (eds.), Advances in Water Resources and Exploration. Journal of Coastal Research, Special Issue No. 93, pp. 1053–1058. Coconut Creek (Florida), ISSN 0749-0208.Port logistics supply chain management is an integrated management idea and method, which performs the functions of logistics planning and control from supplier to end user in supply chain, an integrated management model of port logistics supply chain based on big data is proposed. The big data regression analysis model of integrated management of port logistics supply chain is constructed by statistical analysis method. The constraint index parameter set of optimization of integrated management mode of port logistics supply chain is analyzed in port logistics supply chain, and the big data fusion of integrated management model of port logistics supply chain is carried out by using correlation detection method. Combined with cumulative variance analysis, big data clustering is carried out for port logistics supply chain integrated management model. According to the clustering results, the quantitative distribution set of port logistics supply chain integrated management model is constructed. Combined with big data fuzzy clustering control and information fusion method, the port logistics supply chain integrated management model is constructed. The results of empirical analysis show that the data fusion of port logistics supply chain integrated management model selection by this method is good, which shows that the rationality of port logistics supply chain integrated management mode selection is more accurate, and the integrated management ability of port logistics supply chain under the environment of Internet of things is improved.

Synthesis of Polyester-graft-Polyoxazolines on the Basis of Macroinitiators of Sulfonyl Chloride Type

Comb-shaped thermosensitive polymers have been synthesized on macroinitiators of sulfochloride type via cationic polymerization of 2-ethyl-2-oxazoline. It has been proved that, on sulfochloride macroinitiators, the polymerization proceeds in the “living” chain mode and allows one to obtain polymers with a narrow molecular mass distribution, in particular, without the intermediate isolation of the macroinitiator.

Open XXZ chain and boundary modes at zero temperature

We study the open XXZ spin chain in the anti-ferromagnetic regime and for generic longitudinal magnetic fields at the two boundaries. We discuss the ground state via the Bethe ansatz and we show that, for a chain of even length L and in a regime where both boundary magnetic fields are equal and bounded by a critical field, the spectrum is gapped and the ground state is doubly degenerate up to exponentially small corrections in L. We connect this degeneracy to the presence of a boundary root, namely an excitation localized at one of the two boundaries. We compute the local magnetization at the left edge of the chain and we show that, due to the existence of a boundary root, this depends also on the value of the field at the opposite edge, even in the half-infinite chain limit. Moreover we give an exact expression for the large time limit of the spin autocorrelation at the boundary, which we explicitly compute in terms of the form factor between the two quasi-degenerate ground states. This, as we show, turns out to be equal to the contribution of the boundary root to the local magnetization. We finally discuss the case of chains of odd length.

Systematics of plexciton formation in linear chains of quantum emitters and metal nanoparticles

We present systematic numerical calculations of plexcitonic properties of a linear chain comprised of quantum emitters - metal nanoparticle dimers interacting in the strong coupling regime. The calculations are based on a recently developed semi-analytical technique based on a multiple-scattering polaritonic-operator formalism in conjunction with an electromagnetic coupled dipole method. Based on this method, we calculate the two main features corresponding to the formation of plexcitonic chain modes: the primary plexcitonic resonance as well as the corresponding Rabi splitting associated with the generation of an avoided-crossing area. We apply an exponential model to the numerical results obtained via the above technique to describe the plexciton redshift induced with increasing chain length. We also identify an asymptotic plexciton frequency at a chain length of approximately 20 dimers. A model Hamiltonian is employed to assess the energy splitting defined by the avoided crossing area of the main plexciton resonance which is found to scale as where N is the number of dimers in the chain.

Electronic spectroscopy of carbon chains (C2n+1, n = 7–10) of astrophysical importance. I. Quantum chemistry

Carbon chains have been predicted to be potential carriers of diffuse interstellar band features in astrophysical observations. Motivated by numerous predictions, we set out to carry out extensive ab initio quantum chemistry calculations to establish the ground and excited electronic potential energy surfaces and their coupling surfaces for carbon chains containing an odd number of carbon atoms (C2n+1, n = 7–10). Vibronic coupling models are established with the aid of the calculated electronic energies to investigate nuclear dynamics from first principles. The latter are reported in Ghosh et al. [J. Chem. Phys. 151, 054304 (2019)]. The mentioned carbon chains possess a linear cumulenic structure at the equilibrium minimum of their electronic ground state, and an electronic excited state of the Σu+1 term appears to be extremely bright optically and absorbs in the visible region of the electromagnetic spectrum. Vertical excitation energy of this state decreases and transition dipole moment increases, and as a result, the oscillator strength of this state linearly increases with an increase of the chain length. There are states belonging to 1Πg, 1Πu, Σg+1, 1Δg, and 1Δu terms, in the immediate vicinity of the Σu+1 state, which are optically dark but can gain intensity through vibronic coupling with the optically bright Σu+1 state. Construction of a coupling scheme considering the Renner-Teller coupling within the degenerate Π states and pseudo-Renner-Teller coupling between the Renner-Teller split component states as well as with the nondegenerate Σ states is another motivation of this work. The coupled-state Hamiltonian is constructed in a diabatic electronic basis in terms of the dimensionless normal coordinates of the vibrational modes of the carbon chains. Both Renner-Teller and pseudo-Renner-Teller types of couplings are included in the Hamiltonian. The theoretical results are discussed in relation to the experimental findings.

Bayesian Network Modelling for “Direct Farm” Mode based Agricultural Supply Chain Risk

“Direct Farm” is a special supply chain mode which can effectively improve the circulation efficiency of agricultural products in China. However, the development of “Direct Farm” is limited due to its potential risks. Based on this, we use Bayesian network to model the risks of agricultural supply chain under the “Direct Farm” mode, then the forward reasoning and reverse reasoning of the model can help managers to predict and analyse the risks of supply chain, and take timely risk response measures to ensure the stable operation of agricultural supply chain.

Research on Cloud Platform Service Based on Industrial Design Industrial Chains: Taking ‘the research and develop demonstration platform of Sichuan Industrial Design Platform Service’ as an example.

In recent years, the government has vigorous carried out for the policy of industrial design industry, so that it has enabled the industry to develop rapidly. However, for the industrial design industry, the poor connection between the upstream and downstream industrial chains of industrial design has become an important factor which is restricting the development of this industry. This paper analysed why the industrial design industry chain cannot be linked closely through investigation and analysis as well as the pilot project in Sichuan. According to the pilot project of Sichuan Industrial Design Cloud Service Platform (SCID Platform), it realized the self-circulation mode of industrial design industry chain, and play a substantial role in promoting economic operation.

Dynamic instability and migration modes of collective cells in channels.

Migrating cells constantly experience geometrical confinements in vivo, as exemplified by cancer invasion and embryo development. In this paper, we investigate how intrinsic cellular properties and extrinsic channel confinements jointly regulate the two-dimensional migratory dynamics of collective cells. We find that besides external confinement, active cell motility and cell crowdedness also shape the migration modes of collective cells. Furthermore, the effects of active cell motility, cell crowdedness and confinement size on collective cell migration can be integrated into a unified dimensionless parameter, defined as the cellular motility number (CMN), which mirrors the competition between active motile force and passive elastic restoring force of cells. A low CMN favours laminar-like cell flows, while a high CMN destabilizes cell motions, resulting in a series of mode transitions from a laminar phase to an ordered vortex chain, and further to a mesoscale turbulent phase. These findings not only explain recent experiments but also predict dynamic behaviours of cell collectives, such as the existence of an ordered vortex chain mode and the mode selection under non-straight confinements, which are experimentally testable across different epithelial cell lines.

Plasmon Excitations in Spin-Polarized Iron Atomic Chains: A Time-Dependent Density Functional Theory Study

By using the time-dependent density functional theory calculations, we study the plasmon excitations in Fe atomic chains with different numbers of atom and different Fe-Fe separations, which are now possible to fabricate experimentally. Because of the Fe valence 3d orbitals and the spin polarization, the excitations along the chain (longitudinal (L) mode) and perpendicular to the chain (transverse (T) modes) are found to be largely different from those in noble metal and alkali metal atomic chains. First, the strength of dipole response becomes weaker due to the more localized Fe 3d states; Second, the L mode is mixed with some multipole contribution; Third, the end mode of the T modes is absent.

Dynamics of Entangled cis-1,4-Polyisoprene Confined to Nanoporous Alumina

The dynamics of unentangled cis-1,4-polyisoprene confined within self-ordered nanoporous alumina (AAO) is studied as a function of molecular weight (5000–300 g/mol) and pore size (400–25 nm) with dielectric spectroscopy. The main effects are the pronounced broadening of both segmental and chain modes with decreasing AAO pore diameter. This suggests that the global chain relaxation is retarded on confinement. Remarkably, the distribution of relaxation times is broadened even within pores with size 50 times the unperturbed chain dimensions. The glass temperature is unaffected by confinement. These results are discussed in terms of confinement and adsorption effects. Confinement effects are negligible for the studied molecular weights. Chain adsorption, on the other hand, involves time and length scales distinctly different from the bulk that can account for the experimental findings.

Comparison of Miniaturized Raman Spectrometers for Discrimination of Carotenoids of Halophilic Microorganisms.

We present a comparison of the performance of four miniature portable Raman spectrometers for the discrimination of carotenoids in samples of carotene-producing microorganisms. Two spectrometers using a green laser allowing to obtain Resonance Raman (or pre-Resonance Raman) signals, one instrument with a 785 nm laser, and a recently developed Portable Sequentially Shifted Excitation Raman spectrometer (PSSERS) were used for identifying major pigments of different halophilic (genera Halobacterium, Halorubrum, Haloarcula, Salinibacter, Ectothiorhodospira, Dunaliella) and non-halophilic microorganisms (Micrococcus luteus, Corynebacterium glutamicum). Using all the tested instruments including the PSSERS, strong carotenoids signals corresponding to the stretching vibrations in the polyene chain and in-plane rocking modes of the attached CH3 groups were found at the correct positions. Raman spectra of carotenoids can be obtained from different types of microbiological samples (wet pellets, lyophilized culture biomass and pigment extracts in organic solvents), and can be collected fast and without time-consuming procedures.

Comparison analysis on the bilateral efforts of farmers and the third-party organization under multiple contract modes

Purpose The purpose of this paper is under the analysis framework of the system theory, analyzing the optimal contract mode of agricultural supply chain to guarantee the stability of agricultural supply chain and the equilibrium of agricultural product market, to analyze the effect of farmers’ risk attitude on the selection of contract modes and to find the way to encourage farmers’ productive effort and to avoid farmers’ hitchhiking behavior, to guarantee the stability of agricultural supply chain. Design/methodology/approach Under the guidance of the system theory, using the Stackelberg model and the nonlinear programming theory, this paper comparatively analyzes farmers’ effort (productive effort and sales effort), farmers’ income and the stability of agricultural supply system of four types of contract modes between farmers, third-party organizations and market. Findings First, in the agricultural market, market-type contract cannot maximize farmers’ income. The main reason is that farmers do not have enough ability to avoid market risk and to bargain. Second, for farmers of risk seeking, choosing a market-type contract and secondary-income contract can increase their income. Third, under the fixed-purchase price contract, the hitchhiking behavior would happen. Fourth, when farmers’ productive efforts are the same, farmers’ income under the secondary-income contract is higher than under the fixed-purchase price contract. Because under the secondary-income contract, farmers have the opportunity to obtain the secondary distribution of benefits, farmers’ hitchhiking behavior could be avoided. Originality/value Analyzing the contract modes between farmers and the third-party organization in the agricultural market could reduce the influence of price fluctuation, avoid the uncertainty of the relationship between the supply and demand, stimulate the productive effort of farmers and provide theoretical guidance for establishing efficient and stable agricultural supply system.

Molecular deformation mechanism of polycarbonate during nano-indentation: Molecular dynamics simulation and experimentation

Atomic force microscopy (AFM) enables us to evaluate the physical properties of the surface of materials on a nanoscale. Using a coarse-grained molecular dynamics (CG-MD) simulation, this study investigated the molecular deformation mechanisms of polycarbonate (PC) during AFM nano-indentation experiments. By using the coarse-grained (CG) force field of PC, the nano-indentation deformation behavior of PC was simulated. During this process, the AFM tip is used to penetrate the polymer surface and then withdrawn completely; the PC then undergoes local elastoplastic deformation. To investigate the deformation mechanism at a molecular scale, we quantitatively evaluated the variations in the potential energy associated with different molecular deformation modes, such as bond stretching, bending, and torsion. It was found that the bending mode of the molecular chain plays a critical role in the onset of yielding. Furthermore, the spatial variations of the potential energy were investigated. They indicate that the variation of the potential energy of the bending mode is significant when undergoing nano-indentation. The CG-MD simulation results were then compared with the experimental results. They indicate that our computation accurately reproduces the experimental indentation force–displacement curves. Therefore, the present CG-MD simulation can successfully model experimental AFM nano-indentation. This may be useful for the discussion of the molecular deformation mechanisms of PC and related polymer materials.

Nature of the floppy-to-rigid transition in chalcogenide glass-forming liquids.

The viscoelastic properties of supercooled AsxSe100-x and GexSe100-x (0 ≤ x ≤ 30) liquids are studied using oscillatory parallel plate rheometry. The liquids with average selenium chain segment length L longer than ∼3 to 5 atoms or average coordination number ⟨r⟩ less than ∼2.2 are characterized by the coexistence of a low-frequency bond scission/renewal based relaxation process as well as high-frequency segmental chain dynamics. The latter process disappears for liquids with higher connectivity, thus implying a dynamical rigidity transition. The temporal decoupling of the high-frequency chain mode from that of the bond scission/renewal process and the shear modulus Gs associated with the low-frequency mode are shown to be unique functions of L or ⟨r⟩ and display strong similarity with the corresponding variation in the fragility m and the conformational entropy of the chain segments. When taken together, these results provide direct experimental support to the entropic rigidity argument originally proposed by Phillips but suggest a floppy-to-rigid transition of the structural network at ⟨r⟩ ∼ 2.2, instead of the conventional rigidity percolation threshold value of 2.4.

Structural equation approach to investigate trip-chaining and mode choice relationships in the context of developing countries

ABSTRACTThis paper investigates empirical relationships between trip chain type and mode class choice for developing countries. To formulate these two sets of decisions, four empirical models are developed using structural equation modeling (SEM). Those models are calibrated using one-month travel diary data collected in Dhaka city. SEM correlates the observed variables and identifies their relationship with trip-chaining type utility and mode class choice utility. The fitted models are selected based on statistical results and similarity with the real-life situation. Direct relationships between trip-chaining and mode choice utilities are found insignificant. However, several socio-demographic factors influence both simultaneously. Consequently, it is essential to consider mode class choice concurrently for modeling trip chains. This study also investigates the influencing factors for work-based and non-work-based trip chains separately and effects of road users’ heterogeneity. The research results can be utilized to perceive trip chain-mode choice patterns for developing countries.

Environmental norms and sustainable transport mode choice on children’s school travels: The norm-activation theory

The increasing use of car in developing countries is an important reason for traffic congestion and pollution. Using a car may partly reflect a normative choice, but the majority of previous studies that used the Norm-Activation Model (NAM) to study pro-environmental transport behavior were conducted among the general public in high income and developed countries in Europe and Northern America. The present research aimed to examine the causal chain of the NAM theory and the role of the NAM dimensions as well as socio-demographic and situational characteristics for parental sustainable transport mode choice on their children’s school travels in an Iranian context. Among the three core NAM dimensions, awareness of consequences refers to how aware people are of the negative consequences of car use. Ascription of responsibility refers to whether individuals perceive themselves to be personally responsible for the consequences of car use, and personal norms are defined as a moral personal obligation to take action for collective benefit. In 2014, a self-completion questionnaire survey (n = 1,078) was carried out among parents of pupils (aged 7–9 years). Results (based on n = 733) showed that the NAM was not significantly associated with sustainable transport mode choice in the current study. However, the structural equation modeling showed that the underlying NAM system was supported by the data. Among the socio-demographic characteristics, parents in households who had more cars were less likely to choose sustainable transport modes. Also, accessibility to public transport had a positive effect on the choice of sustainable transport modes. A potential reason for the lack of empirical support for the behavioral link between the NAM causal chain and sustainable mode choice could have been due to that study area may be rather unsupportive of sustainable transport choices, and spatial factors may be more important precursors of mode use than normative processes. Overall, the current findings showed that demographic, household and situational characteristics were more important than the NAM dimensions in predicting sustainable transport mode choice in an Iranian sample. In order to promote sustainable transport mode use, it seems to be more feasible to focus on developing a safe infrastructure and to extend the availability of sustainable transport options in Iran.

Structural investigation and applications of glassy sodium phosphate including the kinetics of dissolution rates and spectral analysis of the prepared samples with a focus on their effects on water treatment

This paper discuss the preparation of the binary system of Phosphate Based Glass (PBG) xP2O5–(100 − x) Na2O mol% and investigates the compositions that form glassy matrix. It is found that x in the range between x = 40–60 mol% and divided in to 5 glass samples (x = 40, 45, 50, 55, 60) and for compositions of 40 > x > 60 no glassy matrix is formed. The intensities of the peak centers of the IR spectra of sodium phosphate glasses and the suggested vibrational modes of structural phosphate chains, terminal groups and tabulated data imply a shift in absorption bands with increasing the Na2O mol% content. The amount of bridging phosphorous, shows a maximum value for the glass containing 60 mol% Na2O due to the depolymerization of the phosphate matrix with increasing Na2O content from 40 to 60 mol% via a breakdown of some terminal bonds (P=O) in the glass network which decreases the bond strength, consequently the peak center is shifted towards lower wave number. Essentially, five compositions of glassy samples were investigated: (x = 40, 45, 50, 55, and 60) mol%. The kinetics of dissolution rate were investigated by two ways: 1—the weight loss data and 2—electrical properties of the solution (pH, Electrical Conductivity) leached by the glass sample in to the deionized water. It is found that with increasing the Na2O% content, the pH values, the dissolution rate and the solubility are increasing. It could be noticed that the ionic levels increased with the immersion time and were directly related to the solubility of the glasses. The highest in solubility (x = 40) is the highest in EC and pH values caused by high Na2O%. By studying the effect of PBG on the real water medium physical characteristics the following results were achieved: Softening of (Treated drinking water, Nile raw water) by removal of hardness (Ca, Mg) by x = 50; 50% P2O5–50% Na2O, Sequestering and agglomerating of (groundwater, wastewater) of some heavy metals as (Fe, Mn) up to 100% removal by x = 60; 60% P2O5–40% Na2O and the electrical properties (pH, EC) were discussed. Results are assuring the possibility of applying PBG for groundwater treatment of high Fe and Mn content. The data show that municipal groundwater supplies become acceptable according to the guidelines of American Chemistry Council for safe drinking water by using of polyphosphates for water treatment.

Elucidating the thermal degradation of carbazole‐containing platinum–polyyne polymers

ABSTRACTIn this article, we present the significant influence of the substitution pattern of carbazole on the thermal stability of carbazole‐containing platinum(II)–polyyne polymers. A series of the studies on the dynamic and isotherm conditions revealed a better thermal stability for the 3,6‐carbazole based platinum(II)–polyyne polymer (36CbzPtP), where alkynes were located at the p‐phenylene positions relative to the carbazole nitrogen atom, compared to that for the 2,7‐carbazole based counter polymer (27CbzPtP), where the alkynes were located at the m‐phenylene positions relative to the carbazole nitrogen atom. On the other hand, the thermogravimetry–mass spectrometry–Fourier transform infrared technique applied to the two polymers revealed the same degradation mechanism, which probably involved the thermal decomposition of triethyl phosphine moieties and which was followed by the CC scission of hexadecyl chains. The carbazole moieties eventually underwent degradation when the temperature exceeded 415 °C. Molecular modeling showed that polymer 27CbzPtP formed a linear structure, whereas polymer 36CbzPtP adopted a curved structures; this led to different packing modes of the polymer chains. This structural difference affected the efficiency of the initial degradation event of the triethyl phosphine groups. The curved structures of 36CbzPtP sterically protected the triethyl phosphine groups; this led to an increased thermal stability over that of 27CbzPtP. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47639.

Detecting molecular vibrational modes of side chains and endpoints in nanoscale proteins with graphene plasmon

Monitoring the chemical and structural changes in protein side chains and endpoints by infrared (IR) spectroscopy is important for studying the chemical reaction and physical adsorption process of proteins. However, the detection of side chains and endpoints in nanoscale proteins is still challenging due to its weak IR response. Here, by designing a double layered graphene plasmon sensor on MgF2/Si substrate in the IR fingerprint region, we detect the vibrational modes in side chains and endpoints (1397 cm−1 and 1458 cm−1) of monolayer protein. The sensor could be applied on biochemistry to investigate the physical and chemical reaction of biomolecules.

Localized mode and nonergodicity of a harmonic oscillator chain

We present a simple and microscopic physical model that breaks the ergodicity. Our model consists of coupled classical harmonic oscillators, and the motion of the tagged particle obeys the generalized Langevin equation satisfying the second fluctuation dissipation theorem. It is found that although the nonergodicity strength, which is expected to detect the ergodicity breaking, for this model vanishes, the velocity auto correlation function of the tagged particle asymptotically oscillates. We analyze the model by using the molecular dynamics and the exact diagonalization as well as the rigorous mapping to the generalized Langevin equation. Our analysis reveals that the asymptotic oscillation is caused by a localized mode with an isolated frequency from the continuous phonon spectrum.