Formalism For Description Research Articles

Development of physics based analytical interatomic potential for palladium-hydride.

Palladium hydrides (Pd-H) research is an important topic in materials research with many practical industrial applications. The complex behavior of the Pd-H alloy system such as phase miscibility gap, however, presents a huge challenge for developing reliable computational models. The embedded atom method (EAM) offers an advantage of computational efficiency and being suited to the metal-hydride system. We propose a new EAM interatomic potential for the complete mathematical modeling of palladium hydride. The present interatomic potential well predicts the lattice constant, cohesive energy, bulk modulus, other elastic constants, and stable alloy crystal structures during molecular dynamics simulations. The phase miscibility gap is also accurately predicted for the Pd-H system using the present potential. To our knowledge, only two Pd-H EAM potentials were used for predicting the phase miscibility gap for the PdH system. The predicted values from these works, however, considerably deviated from the experimental result, which hinders further application to the palladium hydride system. The present potential is reliably accurate and can be used to study the Pd-H system with its compete description of the mathematical formalism.

A Study of "Khetab be Parvane ha" from the Perspective of Persian Grammar

Contemporary poetry can be divided into the poetry of before and after the Islamic Revolution. Among the post-revolutionary poetry, the Pishro or avant-garde Poetry is the most important style of poetry. The well-known figure of this kind of poetry is Reza Baraheni (1935- ) who became the most influential poet of the Post-Revolution Poetry with the publication of his Khetab be Parvane ha and introducing his literary ideas in different articles. Baraheni attempts in his poetic theory, which is known as lingual theory, to reach multilingualism in poetry, multiplicity of forms and language, disintegration of meaning, disintegration of narrative, disintegration of grammar, formalism, and disintegration of description. In the present study, topics such as morphological innovations and morphological and syntactic deviations in Khetab be Parvane ha are studied. As a result, deviations in these poems are divided into two: the successful linguistic part where Baraheni manages to bring some new words into Persian language without disturbing its morphological structure, and the unsuccessful syntactic part where all the rules governing the sentence have been disturbed.

Beautifying handwriting characters based on the optimization of strokes and structure

In this paper, we propose a method for beautifying online handwriting characters. First, we introduce a formalization description of the handwritings topological structure and strokes. Then, in order to beautify the spatial arrangement and strokes of the input character, we capture the writers stability factors for the topology and strokes of their handwriting, and select a suitable topological structure and strokes from users handwritten samples, using the “roulette wheel method. In addition, we analyze certain classical stroke connection types as described in calligraphy theory, and determine which strokes need to consider visual effects. Finally, we apply curve fitting to optimize the stroke relations in order to generate a final result that meets the calligraphy aesthetics requirements.

Inchworm Monte Carlo for exact non-adiabatic dynamics. I. Theory and algorithms.

In this paper, we provide a detailed description of the inchworm Monte Carlo formalism for the exact study of real-time non-adiabatic dynamics. This method optimally recycles Monte Carlo information from earlier times to greatly suppress the dynamical sign problem. Using the example of the spin-boson model, we formulate the inchworm expansion in two distinct ways: The first with respect to an expansion in the system-bath coupling and the second as an expansion in the diabatic coupling. The latter approach motivates the development of a cumulant version of the inchworm Monte Carlo method, which has the benefit of improved scaling. This paper deals completely with methodology, while Paper II provides a comprehensive comparison of the performance of the inchworm Monte Carlo algorithms to other exact methodologies as well as a discussion of the relative advantages and disadvantages of each.

Cyclotron auto resonance maser and free electron laser devices: a unified point of view

We take advantage of previous research in the field of cyclotron auto resonance maser (CARM) and undulator-based free electron laser (U-FEL) sources to establish a common formalism for the relevant description of the underlying physical mechanisms. This strategy is aimed at stressing the deep analogies between the two devices and at providing a practical tool for their study based on the use of well-tested scaling formulae developed independently for the two systems.

Ecalle's arborification-coarborification transforms and Connes-Kreimer Hopf algebra

We give a natural and complete description of Ecalle's mould-comould formalism within a Hopf-algebraic framework. The arborification transform thus appears as a factorization of characters, involving the shuffle or quasishuffle Hopf algebras, thanks to a universal property satisfied by Connes-Kreimer Hopf algebra. We give a straightforward characterization of the fundamental process of homogeneous coarborification, using the explicit duality between decorated Connes-Kreimer and Grossman-Larson algebras. Finally, we introduce a new Hopf algebra that systematically underlies the calculations for the normalization of local dynamical systems.

Axiomatic Affine Unification with Large Gravitational Vector Field Yields Vector-Metric Theory of Gravitation, Electromagnetism and Field Description of Mass-Particles

Under assumption of existence of extremely large gravitational vector field, this paper proposes a road map for building an Axiomatic Eddington Affine Unification theory yielding both Maxwell’s electromagnetism and Vector-metric theory of gravitation, in which inverse of the square-magnitude of the vector serves as Newton’s gravitational constant. The dependence of the vector’s magnitude with distance may offer an explanation of both Pioneer anomaly and “star rotation abnormality” in some Galaxies. In addition, the theory provides formalism for a classical description of atomic particles (such as protons and electrons) with highly non-linear equations and highly localized solutions. The existence of large Gravitational vector field can, for some variables (sub-fields), lead to elliptical type differential equations (unlike in Maxwell’s electromagnetism, which is hyperbolic ), that by its nature forbids the existence independent waves and their propagation. Proposed Unified field description might provide the avenue for smooth transition to the world Quantum physics.

Structured Approach to the Design of Automation Systems through IEC 61499 Standard

The main objectives of this study is the conception of an Engineering Support System (ESS) for sustainable optimization of automation tasks supervision, through a set of formalisms, methods and tools introduced to support the control engineer in the design phase of optimized supervisor solutions.The ESS is based on the IEC 61499 standard for distributed automation, considered as technological reference for the development of automation logics for the new generation of manufacturing systems (CPS). It implements a new formalism for the control problem description and specification, guiding the control engineer within all the control design phases, in order to obtain high performance manufacturing systems while pursuing optimization of key parameter indicators, including for example minimal energy consumption and emissions. To such an aim it enables the possibility to formalize the control supervision problem into a constrained optimization problem to be solved with the most appropriate optimization algorithm selecting the most interesting optimization objectives.Finally, an innovative virtual commissioning platform is adopted. It allows to validate the developed automation tasks supervision system using the real targets running the control solution connected with the virtual model of the system to be controlled in place of the real one.

DS-теория. Научные аспекты и перспективы развития

The work presents the theory of decomposition schemes as a scientific theory. It’s attributes – paradigm, field of research, aim of research, main task, decision method, basic theory model – decomposition scheme were described. Practical aim of the theory is to suggest the mechanism of applied algorithms generation (not machine code). It is shown that the decomposition scheme as a description changes the algorithm description and still remains declarative on the contrary to the algorithm description as imperative. Thereby the decomposition scheme is the description, original for algorithms’ generation. The kinds of decomposition schemes and operations on them have been described. Algorithmically relevant factors which should be considered when generating algorithms in order the algorithms turned real have been described. Working over formalization and mathematical description of the phenomena and objects of the theory of the decomposition schemes have been described here. The mechanism for control of conclusions and results of the theory has been suggested. This work also describes the direction of development of the theory of the decomposition schemes. The priority direction relates to the creation and development of the system of capacious notion and abstractions. From the point of view of the practical application of the theory of the decomposition schemes there the approach which is alike to the one used in machine-building – development and promoting of hi-tech when required – as a result of the targeted research has been suggested.

Austempered Ductile Iron Manufacturing Data Acquisition Process with the Use of Semantic Techniques

Abstract The aim of this work was to propose a methodology supporting the task of collecting the comparative data on studies of the mechanical properties of ADI. Collecting of research data is an important step in the process of finding the optimum design solutions for newly made products - experimental data allow us properly calibrate the manufacturing process of ADI to let the final product achieve the required properties. Parameters of the ADI production process, i.e. the time and temperature of austenitising and austempering, as well as the alloying elements added to ductile iron affect the ADI properties. The design process can use research data collected, among others, from the Web. As stated in the article, the process of data acquisition can be supported by semantic technologies, including ontologies which are descriptive logic formalism.

Формализация описания сложного поведения объектов в задачах имитационного моделирования систем физической защиты

Формализация описания сложного поведения объектов в задачах имитационного моделирования систем физической защиты

Constructing catalogue of temporal situations

Constructing catalogue of temporal situationsThe paper is aiming to create a common basis for description, comparing, and analysis natural languages. As a subject of comparison we have chosen temporal structures of some languages. For such a choice there exists a perfect tool, describing basic temporal phenomena, namely an ordering of states and events in time, certainty and uncertainty, independency of histories of separate objects, necessity and possibility. This tool is supported by the Petri nets formalism, which seems to be well suited for expressing the above mentioned phenomena. Petri nets are built form three primitive notions: of states, of events that begin or end the states, and so-called flow relation indicating succession of states and events. This simple constituents give rise to many possibilities of representing temporal phenomena; it turns out that such representations are sufficient for many (clearly, not necessarily all) temporal situations appearing in natural languages.In description formalisms used till now there is no possibility of expressing such reality phenomena as temporal dependencies in compound statement, or combination of temporality and modality. Moreover, using these formalisms one cannot distinguish between two different sources of uncertainty of the speaker while describing the reality: one, due to the lack of knowledge of the speaker what is going on in outside world, the second, due to objective impossibility of foreseen ways in which some conflict situations will be (or already have been) resolved. Petri net formalism seems to be perfectly suited for such differentiations.There are two main description principles that encompassed this paper. First, that assigns meaning to names of grammatical structures in different languages may lead to misunderstanding. Two grammatical structures with apparently close names may describe different reality. Additionally, some grammatical terms used in one language may be absent and not understandable in the other. It leads to assign meanings to situations, rather than to linguistic forms used for their expression. The second principle is limit the discussed issues to such a piece of reality that can be possible for precise description. The third is to avoid introducing such information to the described reality that is not explicitly mentioned by linguistic means. The authors try to following these principles in the present paper.The paper is organized as follows. First, some samples of situations related to present tense are given together with examples of their expressions in four languages: English, (as a reference language) and three Slavic languages, representing South slavonic languages (Bulgarian), West slavonic languages (Polish), and East slavonic languages (Russian). Within the same framework the next parts of the paper are constructed, supplying samples of using Past tenses and, finally, future tenses and modalities.The formal tools for description purposes are introduced stepwise, according to needs caused be the described reality. There are mainly Petri nets, equipped additionally with inscriptions or labeling in order to keep proper assignations of description units to described objects.

Construction of Ontology for Software Requirements Elicitation

Background/Objective: Elicitation of requirements from informal descriptions remains a major challenge to be accomplished in software industry. Methods: An important task in order to accomplish this goal is to construct an ontology consisting of set of concepts i.e. entities, attributes and relations based on the application domain of interest. The ontology constructed here represents the domain knowledge and requirements are the specialized subset of it. As standard description formalism the ontology is encoded using OWL DL, supported by Pellet reasoned to check the consistency of the components of the ontology. The populated ontology can be queried for matching words using SPARQL. Findings: In software development projects, voluminous unstructured text documents from different stakeholders are to be analysed and to be converted into structured requirements. This process of elicitation will be time consuming if it is to be performed manually. Domain specific ontology helps in automating the process of requirements elicitation, this article intends to construct such domain specific background ontology. The findings are elaborated in Section 3. Improvements: This article portrays the construction and use of domain specific background ontology containing the concepts and their relationships in the Automated Teller Machine (ATM) operations domain to guide the process of automation of elicitation of requirements from informal descriptions or unstructured text, which otherwise would be time consuming if carried out manually.

Metric Relativity and the Dynamical Bridge: Highlights of Riemannian Geometry in Physics

We present an overview of recent developments concerning modifications of the geometry of space-time to describe various physical processes of interactions among classical and quantum configurations. We concentrate in two main lines of research: the Metric Relativity and the Dynamical Bridge. We describe the notion of equivalent (dragged) metric $ \widehat {g}_{\mu \nu }$ which is responsible to map the path of any accelerated body in Minkowski space-time onto a geodesic motion in such associated $\widehat {g}$ geometry. Only recently, the method introduced by Einstein in general relativity was used beyond the domain of gravitational forces to map arbitrary accelerated bodies submitted to non-Newtonian attractions onto geodesics of a modified geometry. This process has its roots in the very ancient idea to treat any dynamical problem in Classical Mechanics as nothing but a problem of static where all forces acting on a body annihilates themselves including the inertial ones. This general procedure, that concerns arbitrary forces—beyond the uses of General Relativity that is limited only to gravitational processes—is nothing but the relativistic version of the d’Alembert method in classical mechanics and consists in the principle of Metric Relativity. The main difference between gravitational interaction and all other forces concerns the universality of gravity which added to the interpretation of the equivalence principle allows all associated geometries—one for each different body in the case of non-gravitational forces—to be unified into a unique Riemannian space-time structure. The same geometrical description appears for electromagnetic waves in the optical limit within the context of nonlinear theories or material medium. Once it is largely discussed in the literature, the so-called analogue models of gravity, we will dedicate few sections on this emphasizing their relation with the new concepts introduced here. Then, we pass to the description of the Dynamical Bridge formalism which states the dynamic equivalence of nonlinear theories (driven by arbitrary scalar, spinor or vector fields) that occur in Minkowski background to theories described in associated curved geometries generated by each one of these fields. We shall see that it is possible to map the dynamical properties of a theory, say Maxwell electrodynamics in Minkowski space-time, into Born-Infeld electrodynamics described in a curved space-time the metric of which is defined in terms of the electromagnetic field itself in such way that it yields the same dynamics. It is clear that when considered in whatever unique geometrical structure, these two theories are not the same; they do not describe the same phenomenon. However, we shall see that by a convenient modification of the metric of space-time, an equivalence appears that establishes a bridge between these two theories making they represent the same phenomenon. This method was recently used to achieve a successful geometric scalar theory of gravity. At the end, we briefly review the proposal of geometrization of quantum mechanics in the de Broglie-Bohm formulation using an enlarged non-Riemannian (Weyl) structure.

Covariant asymmetric wave packet for a field-theoretical description of neutrino oscillations

We consider a class of models for the relativistic covariant wave packets (WPs) which can be used as asymptotically free in and out states in the quantum field theoretical formalisms for description of the neutrino flavor oscillation phenomenon. We demonstrate that the new “asymmetric” wave packet (AWP) is an appropriate alternative to the more conventional “symmetric” WPs, like the so-called relativistic Gaussian packet (RGP) widely used in the quantum field theory (QFT)-based approaches to neutrino oscillations. We show that RGP is not a particular case of AWP, although many properties of these models are almost identical in the quasistable regime. We discuss some features of AWP distinguishing it from RGP.

Thermodynamic analysis of chromium solubility data in liquid lithium containing nitrogen: Comparison between experimental data and computer simulation

The mathematical formalism for description of solute interactions in dilute solution of chromium and nitrogen in liquid lithium have been applied for calculating of the temperature dependence of the solubility of chromium in liquid lithium with the various nitrogen contents. It is shown that the derived equations are useful to provide understanding of a relationship between thermodynamic properties and local ordering in the Li–Cr–N melt. Comparison between theory and data reported in the literature for solubility of chromium in nitrogen-contaminated liquid lithium, was allowed to explain the reasons of the deviation of the experimental semi-logarithmic plot of chromium content in liquid lithium as a function of the reciprocal temperature from a straight line.

The Hamiltonian formalism and quantum-mechanical analogy in the probabilistic description of turbulence

It is shown here that (i) the interaction of adiabatic waves with incompressible turbulence makes it possible to statistically describe the transfer of the energy of turbulent pulsations over the spectrum, (ii) the fundamental parameter that allows the effect of adiabatic motions on incompressible turbulence to be parameterized is the entropy dissipation coefficient in the equation that is called the Obukhov equation in this paper, and (iii) the generalized coordinates or canonical variables of the Zakharov equation should be interpreted as wave functions.

Multiscale Modeling of the Electrode/Electrolyte Interface Using Charge Optimized Many Body (ECOMB3) Potentials

Introduction Present day advances in computer simulation have greatly accelerated material discovery and the investigation of bulk and surface properties that are relevant to the reactivity and performance of the material. Electrocatalytic systems present unique challenges to atomistic and electronic structure modeling due to the presence of an electrode/electrolyte interface and the integration of electrical currents and chemical reactions. Our objective is to develop robust methods that can provide a reasonable atomistic description of the electrode/electrolyte interface that can be used to investigate the complex underlying interfacial chemistry. We combine Density Functional Theory (DFT) and a force field (FF) based classical approach to construct an atomistic modeling tool to consider this interface. Two key features of the electrochemical interface are incorporated - metal polarizability and the interfacial electrolyte chemistry in the presence of a potential-controlled field. In our previous study [1], we employ a reactive modified central force-field (mCF) model that uses simple point charges with pairwise interactions to model reactive water that can dissociate under the influence of potential controlled Pt (111) electrodes. The electrodes are held at constant potential by using a charge fluctuation approach called Electrode Charge Dynamics (ECD) [2]. However the mCF model assigns a fixed charge/oxidation state to the water species and the ECD scheme does not permit charge exchange between the electrode and the electrolyte. In this work, we report third-generation Charge Optimized Many Body potentials (COMB3) [3] in conjunction with an electrode charge equilibration scheme (ECOMB3) for modeling the electrified interface. This model advantageously has a on-the-fly partial charge assignment and allows for a multi-body charge equilibration within a constant potential controlled environment. Materials and Methods All molecular dynamics (MD) simulations have been carried out in Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). The DFT calculations were conducted using the Vienna ab-initio package using a generalized gradient approximation (GGA) with the Perdew, Burke and Ernzerhof (PBE) functional. For complete simulation details and a detailed description of the COMB3 formalism, please refer to Ref. [1] and [3]. Results and Discussion An atomistic representation of the electrode/electrolyte interface is shown in Figure 1. In order to apply an electrode potential drop (ΔV) across two electrodes that are modeled as two halves of a metal slab in a periodic representation, the ECOMB3 scheme inserts a constant offset potential V, in the self-consistent charge equilibration scheme, biasing one side of the metal slab relative to the other. The atom-centered charge equilibration scheme treats transferred charge as continuous variables subject to overall charge conservation. To compute the partial charges on the individual atoms, the overall electrostatic energy (U) of the system is minimized relative to the each partial charge (qi ) (also defined as the electronegativity Χ) within the constraint that overall system is charge-balanced. When a voltage offset V is applied, the electronegativity at all sites is no longer the same and is biased at the electrodes by a magnitude of Vas shown in Equation (1). The equations of motion are then modified to accommodate the bias (Equations 2 and 3). δU cathode/δqi − δU anode/δqi = V (1) Cathode: mqqi ″ = Χ avg + (NC /NT ) V − Χi + νqi ′ (2) Anode: mqqi ″ = Χ avg − (NA /NT ) V − Χi + νqi ′ (3) where mq denotes the fictitious mass of the charge q on atom i and ν represents the velocity. NA and NC represent the number of Cu atoms at the anode and cathode respectively with the total number of atoms NT = NA + NC . The average electronegativity Χ avg of the system is computed as the sum of the electrongativity of each atom iaveraged over all atoms. We will demonstrate the use of the ECOMB3 method to study the environment in which electrocatalysis occurs. Specifically, we report the distribution and dynamics of the interfacial species, the fluctuation and distribution of charge on the electrode, and the distribution of electrostatic potential at the interface. References Yeh, K.-Y., Janik, M. J. and Maranas, J. K., Electrochimica Acta, 101, 308 (2013).Guymon, C. G., Rowley, R. L., Harb, J. N. and Wheeler, D. R., Condens. Matter Phys, 8, 335 (2005).Liang, T., Shan, T.-R., Cheng, Y.-T., Devine, B. D., Noordhoek, M., Li, Y., Lu, Z., Phillpot, S. and Sinnott, S., Materials Science and Engineering: R: Reports, 74(9), 255 (2013). Figure 1. A simulation cell of 5352 atoms consisting of Cu (111) layers acting as the cathode (Right) and anode (Left) and water (O = red, H=white) as electrolyte. Figure 1

Conservation-dissipation formalism of irreversible thermodynamics

Abstract We propose a conservation-dissipation formalism (CDF) for coarse-grained descriptions of irreversible processes. This formalism is based on a stability criterion for non-equilibrium thermodynamics. The criterion ensures that non-equilibrium states tend to equilibrium in long time. As a systematic methodology, CDF provides a feasible procedure in choosing non-equilibrium state variables and determining their evolution equations. The equations derived in CDF have a unified elegant form. They are globally hyperbolic, allow a convenient definition of weak solutions, and are amenable to existing numerics. More importantly, CDF is a genuinely nonlinear formalism and works for systems far away from equilibrium. With this formalism, we formulate novel thermodynamics theories for heat conduction in rigid bodies and non-isothermal compressible Maxwell fluid flows as two typical examples. In these examples, the non-equilibrium variables are exactly the conjugate variables of the heat fluxes or stress tensors. The new theory generalizes Cattaneo's law or Maxwell's law in a regularized and nonlinear fashion.

The Key Technologies for Classification of Distributed Data Streams

With advances in data collection and generation technologies, environments that produce data streams is more and more. In recent years, the network application is further universal and the applications of a single data stream transfer toward a multi-node distributed data streams, such as sensor network, network monitoring, web log analysis and the credit card transaction data of multiple sites. These data is not only real-time, continuous and large scale, but also distributed. How to manage and analyze large dynamic datasets is an important subject that researchers are faced with. In view of the situation, it presented the formalization description of homogeneous and heterogeneous distributed data stream in this paper, analyzed advantages and disadvantages of the centralized stream processing architecture and distributed streaming processing architecture, discussed the recent progress in distributed data stream classification algorithm, summed up the problems and challenges faced by the distributed data stream mining, and possible future research directions.