Self-consistent field theory of adsorption of flexible polyelectrolytes onto an oppositely charged sphere

The adsorption of flexible polyelectrolyte （PE） with the smeared charge distribution onto an oppositely charged sphere immersed in a PE solution is studied numerically with the continuum self-consistent field theory. The power law scaling relationships between the boundary layer thickness and the surface charge density and the charge fraction of PE chains revealed in the study are in good agreement with the existing analytical result. The curvature effect on the degree of charge compensation of the total amount of charges on the adsorbed PE chains over the surface charges is examined, and a clear understanding of it based on the dependences of the degree of charge compensation on the surface charge density and the charge fraction of PE chains is established.

Application of self-consistent field theory to self-assembled bilayer membranes

Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants, and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depend crucially on their mechanical properties such as surface tension, bending moduli, and line tension. Understanding how the molecular properties of the amphiphiles determine the structure and mechanics of the self-assembled bilayers requires a molecularly detailed theoretical framework. The self-consistent field theory provides such a theoretical framework, which is capable of accurately predicting the mechanical parameters of self-assembled bilayer membranes. In this mini review we summarize the formulation of the self-consistent field theory, as exemplified by a model system composed of flexible amphiphilic chains dissolved in hydrophilic polymeric solvents, and its application to the study of self-assembled bilayer membranes.

Comparative study on phase transition behaviors of fractional molecular field theory and random-site Ising model

Fractional molecular field theory(FMFT)is a phenomenological theory that describes phase transitions in crystals with randomly distributed components,such as the relaxor-ferroelectrics and spin glasses.In order to verify the feasibility of this theory,this paper fits it to the Monte Carlo simulations of specific heat and susceptibility versus temperature of two-dimensional(2D)random-site Ising model(2D-RSIM).The results indicate that the FMFT deviates from the 2D-RSIM significantly.The main reason for the deviation is that the 2D-RSIM is a typical system of component random distribution,where the real order parameter is spatially heterogeneous and has no symmetry of space translation,but the basic assumption of FMFT means that the parameter is spatially uniform and has symmetry of space translation.

Response of Bi-disperse Polyelectrolyte Brushes to External Electric Fields A Numerical Self-consistent Field Theory Study

The self-consistent field theory has been employed to numerically study the response of bi-disperse flexible polyelectrolyte （PE） brushes grafted on an electrode to electric fields generated by opposite surface charges on the PE-grafted electrode and a second parallel electrode. The numerical study reveals that, under a positive external electric field, the shorter and negatively charged PE chains are more responsive than the longer PE chains in terms of the relative changes in their respective brush heights. Whereas under a negative external electric field, the opposite was observed. The total electric force on the grafted PE chains was calculated and it was found that, under a positive external electric field, the magnitude of the total electric force acting on one shorter PE chain is larger than that on one longer PE chain, or vice versa. The underlying mechanism was unraveled through analyzing the total electric field across the two oppositely charged electrodes.

An Efficient Algorithm for Self-consistent Field Theory Calculations of Complex Self-assembled Structures of Block Copolymer Melts

Self-consistent field theory（SCFT）, as a state-of-the-art technique for studying the self-assembly of block copolymers, is attracting continuous efforts to improve its accuracy and efficiency. Here we present a fourth-order exponential time differencing Runge-Kutta algorithm（ETDRK4） to solve the modified diffusion equation（MDE） which is the most time-consuming part of a SCFT calculation. By making a careful comparison with currently most efficient and popular algorithms, we demonstrate that the ETDRK4 algorithm significantly reduces the number of chain contour steps in solving the MDE, resulting in a boost of the overall computation efficiency, while it shares the same spatial accuracy with other algorithms. In addition, to demonstrate the power of our ETDRK4 algorithm, we apply it to compute the phase boundaries of the bicontinuous gyroid phase in the strong segregation regime and to verify the existence of the triple point of the O70 phase, the lamellar phase and the cylindrical phase.

Self-consistent field theory and its applications in polymer systems

This review article addresses the widely used self-consistent field theory(SCFT)in interacting polymer systems.The theoretical framework and numerical method of solving the self-consistent equations are presented.In this paper,different structures of polymer can be considered,such as homopolymer,block copolymer,polydisperse polymer and charged polymer.Several systems,micro/macro phase separation,interface,self-assembly,are presented as examples to demonstrate its applications in details.Besides,the fluctuation effects are considered.The first order is Gaussian fluctuation theory,which can be used to determine the stability of the mean-field solution and predict the kinetics of unstable structure.The derivation and applications of Gaussian fluctuation theory are presented as well.

The Nature of Inertia Explained Using the Field Theory

Analysis of free fall and acceleration of the mass on the Earth shows that using abstract entities such as absolute space or inertial space to explain mass dynamics leads to the violation of the principle of action and reaction. Many scientists including Newton, Mach, and Einstein recognized that inertial force has no reaction that originates on mass. Einstein calls the lack of reaction to the inertial force a serious criticism of the space-time continuum concept. Presented is the hypothesis that the inertial force develops in an interaction of two masses via the force field. The inertial force created by such a field has reaction force. The dynamic gravitational field predicted is strong enough to be detected in the laboratory. This article describes the laboratory experiment which can prove or disprove the hypothesis of the dynamic gravitational field. The inertial force, calculated using the equation for the dynamic gravitational field, agrees with the behavior of inertial force observed in the experiments on the Earth. The movement of the planets in our solar system calculated using that equation is the same as that calculated using Newton’s method. The space properties calculated by the candidate equation explain the aberration of light and the results of light propagation experiments. The dynamic gravitational field can explain the discrepancy between the observed velocity of stars in the galaxy and those predicted by Newton’s theory of gravitation without the need for the dark matter hypothesis.

The Fate of Supersymmetry in Quantum Field Theories

We analyze the significance of supersymmetry in two topological models and the standard model (SM). We conclude that the two topological field theory models favor hidden supersymmetry. The SM superpartners, instead, have not been found.

Bound State Description of Particles from a Quantum Field Theory of Fermions and Bosons, Compatible with Relativity

Both, the dilemma to find a quantum field theory consistent with Einstein’s law of relativity and the problem to describe existing particles as bound states of matter has been solved by calculating bound state matrix elements from a dual fermion-boson Lagrangian. In this formalism, the fermion binding energies are compensated by boson energies, indicating that particles can be generated out of the vacuum. This yields quantitative solutions for various mesons ω (0.78 GeV) - Υ (9.46 GeV) and all leptons e, μ and τ, with uncertainties in the extracted properties of less than 1‰. For transparency, a Web-page with the address htpps://h2909473.stratoserver.net has been constructed, where all calculations can be run on line and also the underlying fortran source code can be inspected.

Applications of self-consistent field theory in polymer systems

The self-consistent field theory (SCFT) based upon coarse-grained model is especially suitable for investigating thermodynamic equilibrium morphology and the phase diagram of inhomo-geneous polymer systems subjected to phase separation. The advantage of this model is that the details of the chain such as the architecture of the chain and the sequence of blocks can be consid-ered. We present here an overview of SCFT approach and its applications in polymeric systems. In particular, we wish to focus on our group’s achievements in applications of SCFT in such fields: simulation of microphase separation morphologies of multiblock copolymers with a complex molecular architecture, interactions between brush-coated sheets in a polymer matrix, mixtures of flexible poly-mers and small molecular liquid crystals at the interface, shapes of polymer-chain-anchored fluid vesicles, self-assembled morphologies of block copolymers in dilute solution, and so on. Finally, the further developments as well as the perspective applications of SCFT are discussed.

Self-assembly Behavior of Symmetrical Linear ABCA Tetrablock Copolymer:A Self-consistent Field Theory Study

ABCA tetrablock copolymers offer new opportunities for design of materials with novel structures. Using real-space self- consistent field theory and simulation, we systematically examined the self-assembly behavior of linear ABCA tetrablock copolymers in a 2D space. The simulation was carried out under conditions of symmetrical compositions and interactions. We focus on the influence of chain length ratio of block A and interactions between block A and other blocks B and C on the self-assembly behavior of the copolymer system. The simulation results show that most of the structures self-assembled by the ABCA tetrablock copolymers are centrosymmetric, such as diblock-like lameUa phase, two kinds of lameUae with beads at interface, two kinds of hierarchical lamella phase, hexagonal honeycomb-like phase, lamella phase with mixed BC and hexagonal spheres with mixed BC. Furthermore, we find that a novel noncentrosymmetric Janus spheres can be obtained when the interaction between blocks B and C is strong, whereas a noncentrosymmetric lamella phase was obtained at weak interaction between blocks B and C. Phase diagrams for the ABCA tetrablock copolymers with different interaction strength between blocks B and C are constructed by comparing free energies of candidate ordered structures. In addition, studies on the metastable behavior of the system reveal that enthalpy plays an important role in the metastable behavior of the ABCA tetrablock copolymer system. Our work can provide useful guide for structure control of such kind of tetrablock copolymers in experiments.

Self-assembly of lipids and nanoparticles in aqueous solution:Self-consistent field simulations

Self-assembled nanostructures of lipids and nanoparticles hold great promise for applications in such fields as nanomedicine. This paper uses the self-consistent field theory to investigate the self-assembly behavior of lipid molecules and nanoparticles with different shapes in an aqueous solution. It is found that the lipid molecules can form monolayered and bilayered nanostructures around the nanopartieles with different shapes （e.g., triangular, square, hexagonal and octangular）. With decreasing the size of nanoparticles or increasing the number of polygon edges, the shape of lipid layers will approach an approximately spherical shape. These findings may help to predict and design novel drug delivery nanocarriers.

Self-consistent assessment of Li^(+) ion cathodes:Theory vs.experiments

Transition metal oxide cathodes such as layered Li Co O_(2),spinel Li Mn_(2)O_(4) and olivine Li Fe PO4 have been commercialized for several decades and widely used in the rechargeable Li-ion batteries(LIBs).While great theoretical efforts have been made using the density functional theory(DFT)method,leading to insightful understanding covering materials stability and functional properties,the lack of consistency in choices of functionals and/or convergence criteria makes it somewhat difficult to compare results.It is therefore highly useful to assess these established systems towards self-consistency,thus offering a reliable working basis for theoretical formulation of novel cathodes.Here in this work,we have carried out systematic DFT calculations on the basis of recently established framework covering both thermodynamic stability,functional properties and associated mechanisms.Efforts have been made in selfconsistent selection of exchange-correlation(XC)functionals in terms of dependable accuracy with affordable computational cost,which is essential for high-throughput first-principles calculations.The outcome of the current work on three established cathode systems is in very good agreement with experimental data,and the methodology is to provide a solid basis for designing novel cathode materials without using costing non-local exchange-correlation functionals for structure-energy calculations.

The Complex Field Theory and Mass Formation—An Alternative Model to Higgs Mechanism

The electromagnetic force, strong nuclear force, weak nuclear force, and gravitational force are the four fundamental forces of nature. The Standard Model (SM) succeeded in combining the first three forces to describe the most basic building blocks of matter and govern the universe. Despite the model’s great success in resolving many issues in particle physics but still has several setbacks and limitations. The model failed to incorporate the fourth force of gravity. It infers that all fermions and bosons are massless contrary to experimental facts. In addition, the model addresses neither the 95% of the universe’s energy of Dark Matter (DM) and Dark Energy (DE) nor the universe’s expansion. The Complex Field Theory (CFT) identifies DM and DE as complex fields of complex masses and charges that encompasses the whole universe, and pervade all matter. This presumption resolves the issue of failing to detect DM and DE for the last five decades. The theory also presents a model for the universe’s expansion and presumes that every material object carries a fraction of this complex field proportional to its mass. These premises clearly explain the physical nature of the gravitational force and its complex field and pave the way for gravity into the SM. On the other hand, to solve the issue of massless bosons and fermions in the SM, Higgs mechanism introduces a pure and abstractive theoretical model of unimaginable four potentials to generate fictitious bosons as mass donors to fermions and W± and Z bosons. The CFT in this paper introduces, for the first time, a physical explanation to the mystery of the mass formation of particles rather than Higgs’ pure mathematical derivations. The analyses lead to uncovering the mystery of electron-positron production near heavy nuclei and never in a vacuum. In addition, it puts a constraint on Einstein’s mass-energy equation that energy can never be converted to mass without the presence of dense dark matter and cannot be true in a vacuum. Furthermore, CFT provides different perspectives and resolves real-world physics concepts such as the nuclear force, Casimir force, Lamb’s shift, and the anomalous magnetic moment to be published elsewhere.

High-order field theory and a weak Euler–Lagrange–Barut equation for classical relativistic particle-field systems

In both quantum and classical field systems,conservation laws such as the conservation of energy and momentum are widely regarded as fundamental properties.A broadly accepted approach to deriving conservation laws is built using Noether's method.However,this procedure is still unclear for relativistic particle-field systems where particles are regarded as classical world lines.In the present study,we establish a general manifestly covariant or geometric field theory for classical relativistic particle-field systems.In contrast to quantum systems,where particles are viewed as quantum fields,classical relativistic particle-field systems present specific challenges.These challenges arise from two sides.The first comes from the mass-shell constraint.To deal with the mass-shell constraint,the Euler–Lagrange–Barut(ELB)equation is used to determine the particle's world lines in the four-dimensional(4D)Minkowski space.Besides,the infinitesimal criterion,which is a differential equation in formal field theory,is reconstructed by an integro-differential form.The other difficulty is that fields and particles depend on heterogeneous manifolds.To overcome this challenge,we propose using a weak version of the ELB equation that allows us to connect local conservation laws and continuous symmetries in classical relativistic particle-field systems.By applying a weak ELB equation to classical relativistic particle-field systems,we can systematically derive local conservation laws by examining the underlying symmetries of the system.Our proposed approach provides a new perspective on understanding conservation laws in classical relativistic particle-field systems.

The Self-Consistent Nonlinear Theory of Charged Particle Beam Acceleration by Slowed Circularly Polarized Electromagnetic Waves

The relativistic interaction of charged particle beams with a circularly polarized electromagnetic wave propagating along a uniform guiding magnetic field in the tunneling of a dielectric medium is analyzed. The acceleration mechanism and a self-consistent nonlinear theory are presented for the interaction of relativistic charged particle beams with electromagnetic waves. Numerical results show that the beam particle can be efficiently accelerated in the interaction process.

An Outline of the Grand Unified Theory of Gauge Fields

This paper attempts to propose a grand unified guiding principle of gauge fields from the mathematical and physical picture of fiber bundles: it is believed that our universe may have more fundamental interactions than the four fundamental interactions, and the gauge fields of these fundamental interactions are just a unified gauge potential on the fiber bundle manifold or the components connected to the bottom manifold, that is, our universe;these components can meet the transformation of gauge potential, and even can be transformed from a fundamental interaction gauge potential to another fundamental interaction gauge potential, and can be summarized into a unified equation, namely the expression of the generalized gauge equation, corresponding to the gauge transformation invariance;so gauge transformation invariance is a necessary condition to unify field theory, but quantization of field is not a necessary condition;the four (or more) fundamental interaction fields of the universe are unified into a universal gauge field defined by the connection of the principal fiber bundle on the cosmic base manifold.

Consciousness Field Theory and Antihuman Psychology

Against behaviorism,humanism,and cognitive psychology,this work explores Mocombe’s antihuman psychology as a product of his consciousness field theory.The paper critically assesses Mocombe’s consciousness field theory within the larger body of contemporary ontological debates regarding the nature,origin,and constitution of consciousness,especially human consciousness,vis-à-vis their relations to the psychological theories of behaviorism,humanism,and cognitivism,concluding that consciousness field theory posits an alternative psychological theory of the mind,i.e.,antihuman psychology,to behaviorist,humanist,and cognitivist conceptions of the mind.

A numerical Hartree self-consistent field calculation of an autoionization resonance parameters for a doubly excited 2s^2, 3s^2, and 4s^2 states of He atom with a complex absorbing potential

The self-consistent Hartree-Fock equation for the He atom is solved using the pseudospectral method. The Feshbach- type autoionization resonance parameters for doubly excited 2s2, 3s2, and 4s2 IS states of He have been determined by adding a complex absorbing potential to the Hamiltonian. The Riss-Meyer iterative and Pad6 extrapolation methods are applied to obtain reliable values for the autoionization resonance parameters, which are compared to previous results in the literature.

ARCADE 2 Spatial Roar, What Theory of Relation Reveals

The theory of Relation provides an explanation for the Arcade 2 excess. It assumes that the isotropic radio emission measured by the Arcade 2 Collaboration, which is 5 - 6 times brighter than the expected contributions from known extra-galactic sources, is the residue of an immense primitive energy of ordinary matter released by a relativistic bang almost 100 million years after the big bang, which gave the mass-energy the missing gravity to activate contraction. This relativistic bang, via a Lorentz energy transformation, would have released enormous energy held to be the source of the powerful radio noise detected by the NASA researchers. This transformation would have simultaneously triggered the formation of the first stars from dense gas and the reionization of less dense neutral gas. This departs from the idea that continuous reionization began after the formation of the first stars. We emphasize the importance of primordial magnetic fields, which would have generated significant density fluctuations during recombination and acted as a direct seed for cosmic structures. The first stars and galaxies were bathed in strong magnetic fields that gave rise to the radio microwave din (boom) discovered by Arcade 2. These intense magnetic fields alter the trajectory of charged particles zooming near the speed of light, triggering the space roar and emitting radiation that forms a synchrotron radio background. The theory of Relation offers an alternative to the Lambda-CDM cosmological model, which has become the standard model of the big bang, which leads straight to the vacuum catastrophe.