Temperature and entropy in molecular system

The irreversibility, temperature, and entropy are identified for an atomic system of solid material. Thermodynamics second law is automatically satisfied in the time evolution of molecular dynamics (MD). The irreversibility caused by an atom spontaneously moves from a non-stable equilibrium position to a stable equilibrium position. The process is dynamic in nature associated with the conversion of potential energy to kinetic energy and the dissipation of kinetic energy to the entire system. The forward process is less sensitive to small variation of boundary condition than reverse process, causing the time symmetry to break. Different methods to define temperature in molecular system are revisited with paradox examples. It is seen that the temperature can only be rigorously defined on an atom knowing its time history of velocity vector. The velocity vector of an atom is the summation of the mechanical part and the thermal part, the mechanical velocity is related to the global motion (translation, rotation, acceleration, vibration, etc.), the thermal velocity is related to temperature and is assumed to follow the identical random Gaussian distribution for all of its [Formula: see text], [Formula: see text] and [Formula: see text] component. The [Formula: see text]-velocity (same for [Formula: see text] or [Formula: see text]) versus time obtained from MD simulation is treated as a signal (mechanical motion) corrupted with random Gaussian distribution noise (thermal motion). The noise is separated from signal with wavelet filter and used as the randomness measurement. The temperature is thus defined as the variance of the thermal velocity multiply the atom mass and divided by Boltzmann constant. The new definition is equivalent to the Nose–Hover thermostat for a stationary system. For system with macroscopic acceleration, rotation, vibration, etc., the new definition can predict the same temperature as the stationary system, while Nose–Hover thermostat predicts a much higher temperature. It is seen that the new definition of temperature is not influenced by the global motion, i.e., translation, rotation, acceleration, vibration, etc., of the system. The Gibbs entropy is calculated for each atom by knowing normal distribution as the probability density function. The relationship between entropy and temperature is established for solid material.

A 2D Membrane MEMS Device Model with Fringing Field: Curvature-Dependent Electrostatic Field and Optimal Control

An important problem in membrane micro-electric-mechanical-system (MEMS) modeling is the fringing-field phenomenon, of which the main effect consists of force-line deformation of electrostatic field E near the edges of the plates, producing the anomalous deformation of the membrane when external voltage V is applied. In the framework of a 2D circular membrane MEMS, representing the fringing-field effect depending on |∇u|2 with the u profile of the membrane, and since strong E produces strong deformation of the membrane, we consider |E| proportional to the mean curvature of the membrane, obtaining a new nonlinear second-order differential model without explicit singularities. In this paper, the main purpose was the analytical study of this model, obtaining an algebraic condition ensuring the existence of at least one solution for it that depends on both the electromechanical properties of the material constituting the membrane and the positive parameter δ that weighs the terms |∇u|2. However, even if the the study of the model did not ensure the uniqueness of the solution, it made it possible to achieve the goal of finding a stable equilibrium position. Moreover, a range of admissible values of V were obtained in order, on the one hand, to win the mechanical inertia of the membrane and, on the other hand, to ensure that the membrane did not touch the upper disk of the device. Lastly, some optimal control conditions based on the variation of potential energy are presented and discussed.

Simulation of the dynamics of the Hansbreen tidal glacier (Svalbard) based on the stochastic model

The dynamics of the Hansbreen tidal glacier (Svalbard) is manifested at different time scales. In addition to the long-term trend, there are noticeable inter-annual fluctuations. And the last ones are precisely the subject of this work. Based on general conclusions of the theory of temporal dynamics of the massive inertial objects, the observed inter-annual changes in the length of the glacier can be explained as a result of the accumulation of anomalies of the heat fluxes and water flows. In spite the fact that the initial model of glacier dynamics is deterministically based on the physical law of conservation of ice mass (the so-called the «minimal model» was used), the model of length change is interpreted as stochastic. From this standpoint, it is the Langevin equation, which includes the effect of random temperature anomalies that can be interpreted as a white noise. From a mathematical point of view, this process is analogous to Brownian motion, i.e. the length of the Hansbreen glacier randomly fluctuates in the vicinity of its stable equilibrium position. Based on the Langevin equation, we passed to the Fokker–Planck equation, the solution of which allowed us to obtain the distribution function of the probabilities of interannual fluctuations of glacier length, which is close to the normal law. It was shown that the possible range of the variability covers the observed interval of the length fluctuations. The pdf is close to normal distribution.

EDWIN B. WILSON, MORE THAN A CATALYTIC INFLUENCE FOR PAUL SAMUELSON’S FOUNDATIONS OF ECONOMIC ANALYSIS

This paper is an exploration of the genesis of Paul Samuelson’s Foundations of Economic Analysis (1947) from the perspective of his commitment to Edwin B. Wilson’s mathematics. The paper sheds new light on Samuelson’s Foundations at two levels. First, Wilson’s foundational ideas, embodied in maxims that abound in Samuelson’s book, such as “Mathematics is a Language” or “operationally meaningful theorems,” unified the chapters of Foundations and gave a sense of unity to Samuelson’s economics. Second, Wilson influenced certain theoretical concerns of Samuelson’s economics. Particularly, Samuelson adopted Wilson’s definition of a stable equilibrium position of a system in terms of discrete inequalities. Following Wilson, Samuelson developed correspondences between the continuous and the discrete in order to translate the mathematics of the continuous of neoclassical economics into formulas of discrete magnitudes. In Foundations, the local and the discrete provided the best way of operationalizing marginal and differential calculus. The discrete resonated intuitively with data; the continuous did not.

The Stress Field Due to an Edge Dislocation Interacting With Two Circular Inclusions

A general series solution to the problem of interacting circular inclusions in plane elastostatics is presented in this paper. The analysis is based on the use of the complex stress potentials of Muskhelishvili and the theorem of analytical continuation. The general forms of the complex potentials are derived explicitly for the circular inhomogeneities under arbitrary plane loading. Using the alternation technique, these general expressions were subsequently employed to treat the problem of an infinitely extended matrix containing two arbitrarily located inhomogeneities. The major contribution of the present proposed method is shown to be capable of yielding approximate closed-form solutions for multiple inclusions, thus providing the explicit dependence of the solution on the pertinent parameters. The result shows that the dislocation has a stable equilibrium position at a certain combination of material constants. The case of an inhomogeneity interacting with a circular hole under a remote uniform load is also investigated.

Dynamics of Rocking Semicircular, Parabolic, and Semi-Elliptical Disks: Equilibria, Stability, and Natural Frequencies

This paper performs a theoretical and experimental investigation of the natural frequency and stability of rocking semicircular, parabolic, and semi-elliptical disks. Horace Lamb's method for deriving the natural frequency of an arbitrary rocking disk is applied to three shapes with semicircular, parabolic, and semi-elliptical cross sections, respectively. For the case of the semicircular disk, the system's equation of motion is derived to verify Lamb's method. Additionally, the rocking semicircular disk is found to always have one stable equilibrium position. For the cases of the parabolic and semi-elliptical disks, this investigation reveals a supercritical pitchfork bifurcation for changes in a single geometric parameter which indicates that the systems can exhibit bistable behavior. Comparisons between experimental validation and theory show good agreement.

Investigation of Rocking Semicircular and Parabolic Disk Equilibria, Stability, and Natural Frequencies

This paper performs a theoretical and experimental investigation of the natural frequency and stability of rocking semicircular and parabolic disks. Horace Lamb’s method for deriving the natural frequency of an arbitrary rocking disk is applied to two shapes with semicircular and parabolic cross sections, respectively. For the case of the semicircular disk, the system’s equation of motion is derived to verify Lamb’s method. Additionally, the rocking semicircular disk is found to always have one stable equilibrium position. For the case of the parabolic disk, this investigation unveils a super-critical pitchfork bifurcation for changes in a single geometric parameter which reveals that the system can exhibit bistable behavior. Rapid prototyping technology was used to manufacture sample disks across a wide range of parameters, and a laser tachometer was used to experimentally determine the natural frequency of each disk. Comparisons between experiment and theory show good agreement.

On the equivalent systems for concurrent springs and dampers – Part 2: Small out-of-plane oscillations

Concurrent linear springs belonging to systems that perform small out-of-plane oscillations around a stable equilibrium position are considered with a view to obtaining equivalent systems of three mutually orthogonal linear springs. Theorems defining their stiffness coefficients as well as their position, i.e. the position of the principal stiffness axes for which the potential energy does not contain mixed terms, are stated and proven. So far unknown invariants related to the sum of original and new stiffness coefficients are provided. In addition, the equivalent system of three mutually orthogonal dampers is obtained for any system of out-of-plane concurrent linear viscous. The theorem defining their damping coefficients and their directions, collinear with the principal damping axes for which the dissipative function does not contain mixed terms, is provided. The corresponding invariant for damping coefficients is presented, too. An ellipsoid of displacement and an ellipsoid of stiffness are discussed. Three illustrated examples are given.

On the equivalent systems for concurrent springs and dampers – Part 1: Small in-plane oscillations

In this work, concurrent linear springs placed in the system that performs small in-plane oscillations around the stable equilibrium position are considered. New theorems defining how they can be replaced by two mutually orthogonal springs are provided. The same concept is applied to find two mutually orthogonal linear viscous dampers that can replace a system of concurrent linear viscous dampers. The directions of such springs and dampers correspond to the principal stiffness and damping axes, respectively. So far unknown invariants related to the sum of stiffness coefficients and damping coefficient of the original and equivalent systems are presented. A few examples are given to illustrate the use and benefits of this approach. In addition, it is shown how the concept of two mutually orthogonal springs can be beneficially used for analysing problems concerned with oscillations of a particle on elastic frames.

Bistable Compliant Extension Aid for a Polycentric Prosthetic Knee

A compliant add-on mechanism for polycentric prosthetic knees was designed to provide two additional features beyond those already provided by the knee, the additional features being a stable equilibrium position when the knee is bent for the sitting posture and a moment-rotation profile that helps prevent excessive heel rise. The mechanism, dubbed the Bistable Compliant Extension Aid (BCEA), was developed and analyzed using finite-element-analysis (FEA) software. The BCEA was shown to satisfy the design requirements, prevention of excessive heel rise and providing a stable sitting position, based on its reaction moments for knee flexions ranging between 0 and 90 degrees.