Transition from the mechanics of material points to the mechanics of structured particles

NASA Astrophysics Data System (ADS)

Somsikov, V. M.

2016-01-01

In this paper, necessity of creation of mechanics of structured particles is discussed. The way to create this mechanics within the laws of classical mechanics with the use of energy equation is shown. The occurrence of breaking of time symmetry within the mechanics of structured particles is shown, as well as the introduction of concept of entropy in the framework of classical mechanics. The way to create the mechanics of non-equilibrium systems in the thermodynamic approach is shown. It is also shown that the use of hypothesis of holonomic constraints while deriving the canonical Lagrange equation made it impossible to describe irreversible dynamics. The difference between the mechanics of structured particles and the mechanics of material points is discussed. It is also shown that the matter is infinitely divisible according to the laws of classical mechanics.

Classical Electrodynamics: Problems with solutions; Problems with solutions

NASA Astrophysics Data System (ADS)

Likharev, Konstantin K.

2018-06-01

l Advanced Physics is a series comprising four parts: Classical Mechanics, Classical Electrodynamics, Quantum Mechanics and Statistical Mechanics. Each part consists of two volumes, Lecture notes and Problems with solutions, further supplemented by an additional collection of test problems and solutions available to qualifying university instructors. This volume, Classical Electrodynamics: Lecture notes is intended to be the basis for a two-semester graduate-level course on electricity and magnetism, including not only the interaction and dynamics charged point particles, but also properties of dielectric, conducting, and magnetic media. The course also covers special relativity, including its kinematics and particle-dynamics aspects, and electromagnetic radiation by relativistic particles.

Re'class'ification of 'quant'ified classical simulated annealing

NASA Astrophysics Data System (ADS)

Tanaka, Toshiyuki

2009-12-01

We discuss a classical reinterpretation of quantum-mechanics-based analysis of classical Markov chains with detailed balance, that is based on the quantum-classical correspondence. The classical reinterpretation is then used to demonstrate that it successfully reproduces a sufficient condition for cooling schedule in classical simulated annealing, which has the inverse-logarithmic scaling.

Extending In Vitro Conditioning in "Aplysia" to Analyze Operant and Classical Processes in the Same Preparation

ERIC Educational Resources Information Center

Brembs, Bjorn; Baxter, Douglas A.; Byrne, John H.

2004-01-01

Operant and classical conditioning are major processes shaping behavioral responses in all animals. Although the understanding of the mechanisms of classical conditioning has expanded significantly, the understanding of the mechanisms of operant conditioning is more limited. Recent developments in "Aplysia" are helping to narrow the gap in the…

k-Cosymplectic Classical Field Theories: Tulczyjew and Skinner-Rusk Formulations

NASA Astrophysics Data System (ADS)

Rey, Angel M.; Román-Roy, Narciso; Salgado, Modesto; Vilariño, Silvia

2012-06-01

The k-cosymplectic Lagrangian and Hamiltonian formalisms of first-order classical field theories are reviewed and completed. In particular, they are stated for singular and almost-regular systems. Subsequently, several alternative formulations for k-cosymplectic first-order field theories are developed: First, generalizing the construction of Tulczyjew for mechanics, we give a new interpretation of the classical field equations. Second, the Lagrangian and Hamiltonian formalisms are unified by giving an extension of the Skinner-Rusk formulation on classical mechanics.

Quantum versus classical dynamics in the optical centrifuge

NASA Astrophysics Data System (ADS)

Armon, Tsafrir; Friedland, Lazar

2017-09-01

The interplay between classical and quantum-mechanical evolution in the optical centrifuge (OC) is discussed. The analysis is based on the quantum-mechanical formalism starting from either the ground state or a thermal ensemble. Two resonant mechanisms are identified, i.e., the classical autoresonance and the quantum-mechanical ladder climbing, yielding different dynamics and rotational excitation efficiencies. The rotating-wave approximation is used to analyze the two resonant regimes in the associated dimensionless two-parameter space and calculate the OC excitation efficiency. The results show good agreement between numerical simulations and theory and are relevant to existing experimental setups.

Molecular mechanisms underlying formation of long-term reward memories and extinction memories in the honeybee (Apis mellifera)

PubMed Central

2014-01-01

The honeybee (Apis mellifera) has long served as an invertebrate model organism for reward learning and memory research. Its capacity for learning and memory formation is rooted in the ecological need to efficiently collect nectar and pollen during summer to ensure survival of the hive during winter. Foraging bees learn to associate a flower's characteristic features with a reward in a way that resembles olfactory appetitive classical conditioning, a learning paradigm that is used to study mechanisms underlying learning and memory formation in the honeybee. Due to a plethora of studies on appetitive classical conditioning and phenomena related to it, the honeybee is one of the best characterized invertebrate model organisms from a learning psychological point of view. Moreover, classical conditioning and associated behavioral phenomena are surprisingly similar in honeybees and vertebrates, suggesting a convergence of underlying neuronal processes, including the molecular mechanisms that contribute to them. Here I review current thinking on the molecular mechanisms underlying long-term memory (LTM) formation in honeybees following classical conditioning and extinction, demonstrating that an in-depth analysis of the molecular mechanisms of classical conditioning in honeybees might add to our understanding of associative learning in honeybees and vertebrates. PMID:25225299

Quantum localization of classical mechanics

NASA Astrophysics Data System (ADS)

Batalin, Igor A.; Lavrov, Peter M.

2016-07-01

Quantum localization of classical mechanics within the BRST-BFV and BV (or field-antifield) quantization methods are studied. It is shown that a special choice of gauge fixing functions (or BRST-BFV charge) together with the unitary limit leads to Hamiltonian localization in the path integral of the BRST-BFV formalism. In turn, we find that a special choice of gauge fixing functions being proportional to extremals of an initial non-degenerate classical action together with a very special solution of the classical master equation result in Lagrangian localization in the partition function of the BV formalism.

Hamilton's Principle and Approximate Solutions to Problems in Classical Mechanics

ERIC Educational Resources Information Center

Schlitt, D. W.

1977-01-01

Shows how to use the Ritz method for obtaining approximate solutions to problems expressed in variational form directly from the variational equation. Application of this method to classical mechanics is given. (MLH)

Thermodynamic integration from classical to quantum mechanics.

PubMed

Habershon, Scott; Manolopoulos, David E

2011-12-14

We present a new method for calculating quantum mechanical corrections to classical free energies, based on thermodynamic integration from classical to quantum mechanics. In contrast to previous methods, our method is numerically stable even in the presence of strong quantum delocalization. We first illustrate the method and its relationship to a well-established method with an analysis of a one-dimensional harmonic oscillator. We then show that our method can be used to calculate the quantum mechanical contributions to the free energies of ice and water for a flexible water model, a problem for which the established method is unstable. © 2011 American Institute of Physics

Errata report on Herbert Goldstein's Classical Mechanics: Second edition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Unseren, M.A.; Hoffman, F.M.

This report describes errors in Herbert Goldstein's textbook Classical Mechanics, Second Edition (Copyright 1980, ISBN 0-201-02918-9). Some of the errors in current printings of the text were corrected in the second printing; however, after communicating with Addison Wesley, the publisher for Classical Mechanics, it was discovered that the corrected galley proofs had been lost by the printer and that no one had complained of any errors in the eleven years since the second printing. The errata sheet corrects errors from all printings of the second edition.

Computation in Classical Mechanics with Easy Java Simulations (EJS)

NASA Astrophysics Data System (ADS)

Cox, Anne J.

2006-12-01

Let your students enjoy creating animations and incorporating some computational physics into your Classical Mechanics course. This talk will demonstrate the use of an Open Source Physics package, Easy Java Simulations (EJS), in an already existing sophomore/junior level Classical Mechanics course. EJS allows for incremental introduction of computational physics into existing courses because it is easy to use (for instructors and students alike) and it is open source. Students can use this tool for numerical solutions to problems (as they can with commercial systems: Mathcad and Mathematica), but they can also generate their own animations. For example, students in Classical Mechanics use Lagrangian mechanics to solve a problem, and then use EJS not only to numerically solve the differential equations, but to show the associated motion (and check their answers). EJS, developed by Francisco Esquembre (http://fem.um.es/Ejs/), is built on the OpenSource Physics framework (http://www.opensourcephysics.org/) supported through NSF DUE0442581.

A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sinitskiy, Anton V.; Voth, Gregory A., E-mail: gavoth@uchicago.edu

2015-09-07

Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman’s imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionistmore » perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments.« less

A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals.

PubMed

Sinitskiy, Anton V; Voth, Gregory A

2015-09-07

Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman's imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionist perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments.

Axioms for quantum mechanics: relativistic causality, retrocausality, and the existence of a classical limit

NASA Astrophysics Data System (ADS)

Rohrlich, Daniel

Y. Aharonov and A. Shimony both conjectured that two axioms - relativistic causality (``no superluminal signalling'') and nonlocality - so nearly contradict each other that only quantum mechanics reconciles them. Can we indeed derive quantum mechanics, at least in part, from these two axioms? No: ``PR-box'' correlations show that quantum correlations are not the most nonlocal correlations consistent with relativistic causality. Here we replace ``nonlocality'' with ``retrocausality'' and supplement the axioms of relativistic causality and retrocausality with a natural and minimal third axiom: the existence of a classical limit, in which macroscopic observables commute. That is, just as quantum mechanics has a classical limit, so must any generalization of quantum mechanics. In this limit, PR-box correlations violaterelativistic causality. Generalized to all stronger-than-quantum bipartite correlations, this result is a derivation of Tsirelson's bound (a theorem of quantum mechanics) from the three axioms of relativistic causality, retrocausality and the existence of a classical limit. Although the derivation does not assume quantum mechanics, it points to the Hilbert space structure that underlies quantum correlations. I thank the John Templeton Foundation (Project ID 43297) and the Israel Science Foundation (Grant No. 1190/13) for support.

Short distance modification of the quantum virial theorem

NASA Astrophysics Data System (ADS)

Zhao, Qin; Faizal, Mir; Zaz, Zaid

2017-07-01

In this letter, we will analyse the deformation of a semi-classical gravitational system from minimal measurable length scale. In the semi-classical approximation, the gravitational field will be analysed as a classical field, and the matter fields will be treated quantum mechanically. Thus, using this approximation, this system will be represented by a deformation of Schrödinger-Newton equation by the generalised uncertainty principle (GUP). We will analyse the effects of this GUP deformed Schrödinger-Newton equation on the behaviour of such a semi-classical gravitational system. As the quantum mechanical virial theorem can be obtained using the Schrödinger-Newton equation, a short distance modification of the Schrödinger-Newton equation will also result in a short distance modification of the quantum mechanical virial theorem.

The Conquest of Outer Space--Optional Curriculum Model

ERIC Educational Resources Information Center

Florian, Gabriel; Florian, Aurelia-Daniela; Pufu, Nicolae

2015-01-01

This paper proposes an optional syllabus for the students in the XIIth grade. The proposed theme analyzes the concept of "variable mass" both in terms of classical mechanics and relativistic mechanics. In terms of classical mechanics we refer to the slow motion of a body, whose mass ranges in ascending way (by annealing a mass particle…

Quantum mechanical models for the Fermi shuttle

NASA Astrophysics Data System (ADS)

Sternberg, James; Ovchinnikov, S. Yu.; Macek, J. H.

2009-05-01

Although the Fermi shuttle was originally proposed as an explanation for highly energetic cosmic rays, it is also a mechanism for the production of high energy electrons in atomic collisions [1]. The Fermi shuttle is usually thought of as a classical effect and most models of this process rely on classical or semi-classical approximations. In this work we explore several quantum mechanical models for ion-atom collisions and examine the evidence for the Fermi shuttle in these models. [4pt] [1] B. Sulik, Cs. Koncz, K. Tok'esi, A. Orb'an, and D. Ber'enyi, Phys Rev. Lett. 88 073201 (2002)

ON THE DYNAMICAL DERIVATION OF EQUILIBRIUM STATISTICAL MECHANICS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prigogine, I.; Balescu, R.; Henin, F.

1960-12-01

Work on nonequilibrium statistical mechanics, which allows an extension of the kinetic proof to all results of equilibrium statistical mechanics involving a finite number of degrees of freedom, is summarized. As an introduction to the general N-body problem, the scattering theory in classical mechanics is considered. The general N-body problem is considered for the case of classical mechanics, quantum mechanics with Boltzmann statistics, and quantum mechanics including quantum statistics. Six basic diagrams, which describe the elementary processes of the dynamics of correlations, were obtained. (M.C.G.)

A Framework for Understanding the Patterns of Student Difficulties in Quantum Mechanics

NASA Astrophysics Data System (ADS)

Singh, Chandralekha

2015-04-01

Compared with introductory physics, relatively little is known about the development of expertise in advanced physics courses, especially in the case of quantum mechanics. We describe a theoretical framework for understanding the patterns of student reasoning difficulties and how students develop expertise in quantum mechanics. The framework posits that the challenges many students face in developing expertise in quantum mechanics are analogous to the challenges introductory students face in developing expertise in introductory classical mechanics. This framework incorporates the effects of diversity in students' prior preparation, goals and motivation for taking upper-level physics courses in general as well as the ``paradigm shift'' from classical mechanics to quantum mechanics. The framework is based on empirical investigations demonstrating that the patterns of reasoning, problem-solving, and self-monitoring difficulties in quantum mechanics bear a striking resemblance to those found in introductory classical mechanics. Examples from research in quantum mechanics and introductory classical mechanics will be discussed to illustrate how the patterns of difficulties are analogous as students learn to unpack the respective principles and grasp the formalism in each knowledge domain during the development of expertise. Embracing such a theoretical framework and contemplating the parallels between the difficulties in these two knowledge domains can enable researchers to leverage the extensive literature for introductory physics education research to guide the design of teaching and learning tools for helping students develop expertise in quantum mechanics. Support from the National Science Foundation is gratefully acknowledged.

Is tapentadol different from classical opioids? A review of the evidence

PubMed Central

Langford, Richard M; Knaggs, Roger; Farquhar-Smith, Paul; Dickenson, Anthony H

2016-01-01

Tapentadol is a single molecule able to deliver analgesia by two distinct mechanisms, a feature which differentiates it from many other analgesics. Pre-clinical data demonstrate two mechanisms of action: mu-opioid receptor agonist activity and noradrenaline re-uptake inhibition. From these, one may predict that tapentadol would be applicable across a broad spectrum of pain from nociceptive to neuropathic. The evidence in animal models suggests that norepinephrine re-uptake inhibition (NRI) is a key mechanism and may even predominate over opioid actions in chronic (and especially neuropathic) pain states, reinforcing that tapentadol is different to classical opioids and may, therefore, be an a priori choice for the treatment of neuropathic and mixed pain. The clinical studies and subsequent practice experience and surveillance support the concept of opioid and non-opioid mechanisms of action. The reduced incidence of some of the typical opioid-induced side effects, compared to equianalgesic doses of classical opioids, supports the hypothesis that tapentadol analgesia is only partially mediated by opioid agonist mechanisms. Both the pre-clinical and clinical profiles appear to be differentiated from those of classical opioids. PMID:27867511

Is tapentadol different from classical opioids? A review of the evidence.

PubMed

Langford, Richard M; Knaggs, Roger; Farquhar-Smith, Paul; Dickenson, Anthony H

2016-11-01

Tapentadol is a single molecule able to deliver analgesia by two distinct mechanisms, a feature which differentiates it from many other analgesics. Pre-clinical data demonstrate two mechanisms of action: mu-opioid receptor agonist activity and noradrenaline re-uptake inhibition. From these, one may predict that tapentadol would be applicable across a broad spectrum of pain from nociceptive to neuropathic. The evidence in animal models suggests that norepinephrine re-uptake inhibition (NRI) is a key mechanism and may even predominate over opioid actions in chronic (and especially neuropathic) pain states, reinforcing that tapentadol is different to classical opioids and may, therefore, be an a priori choice for the treatment of neuropathic and mixed pain. The clinical studies and subsequent practice experience and surveillance support the concept of opioid and non-opioid mechanisms of action. The reduced incidence of some of the typical opioid-induced side effects, compared to equianalgesic doses of classical opioids, supports the hypothesis that tapentadol analgesia is only partially mediated by opioid agonist mechanisms. Both the pre-clinical and clinical profiles appear to be differentiated from those of classical opioids.

Quantum correlations and dynamics from classical random fields valued in complex Hilbert spaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khrennikov, Andrei

2010-08-15

One of the crucial differences between mathematical models of classical and quantum mechanics (QM) is the use of the tensor product of the state spaces of subsystems as the state space of the corresponding composite system. (To describe an ensemble of classical composite systems, one uses random variables taking values in the Cartesian product of the state spaces of subsystems.) We show that, nevertheless, it is possible to establish a natural correspondence between the classical and the quantum probabilistic descriptions of composite systems. Quantum averages for composite systems (including entangled) can be represented as averages with respect to classical randommore » fields. It is essentially what Albert Einstein dreamed of. QM is represented as classical statistical mechanics with infinite-dimensional phase space. While the mathematical construction is completely rigorous, its physical interpretation is a complicated problem. We present the basic physical interpretation of prequantum classical statistical field theory in Sec. II. However, this is only the first step toward real physical theory.« less

Real-time dynamics of matrix quantum mechanics beyond the classical approximation

NASA Astrophysics Data System (ADS)

Buividovich, Pavel; Hanada, Masanori; Schäfer, Andreas

2018-03-01

We describe a numerical method which allows to go beyond the classical approximation for the real-time dynamics of many-body systems by approximating the many-body Wigner function by the most general Gaussian function with time-dependent mean and dispersion. On a simple example of a classically chaotic system with two degrees of freedom we demonstrate that this Gaussian state approximation is accurate for significantly smaller field strengths and longer times than the classical one. Applying this approximation to matrix quantum mechanics, we demonstrate that the quantum Lyapunov exponents are in general smaller than their classical counterparts, and even seem to vanish below some temperature. This behavior resembles the finite-temperature phase transition which was found for this system in Monte-Carlo simulations, and ensures that the system does not violate the Maldacena-Shenker-Stanford bound λL < 2πT, which inevitably happens for classical dynamics at sufficiently small temperatures.

Comparison of Classical and Quantum Mechanical Uncertainties.

ERIC Educational Resources Information Center

Peslak, John, Jr.

1979-01-01

Comparisons are made for the particle-in-a-box, the harmonic oscillator, and the one-electron atom. A classical uncertainty principle is derived and compared with its quantum-mechanical counterpart. The results are discussed in terms of the statistical interpretation of the uncertainty principle. (Author/BB)

Direct Simulation Monte Carlo Application of the Three Dimensional Forced Harmonic Oscillator Model

DTIC Science & Technology

2017-12-07

quasi -classical scattering theory [3,4] or trajectory [5] calculations, semiclassical, as well as close-coupled [6,7] or full [8] quantum mechanical...the quasi -classical trajectory (QCT) calculations approach for ab initio modeling of collision processes. The DMS method builds on an earlier work...nu ar y 30 , 2 01 8 | h ttp :// ar c. ai aa .o rg | D O I: 1 0. 25 14 /1 .T 52 28 to directly use quasi -classical or quantum mechanic

A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules

PubMed Central

Schmiedt, Hanno; Schlemmer, Stephan; Yurchenko, Sergey N.; Yachmenev, Andrey

2017-01-01

We report a new semi-classical method to compute highly excited rotational energy levels of an asymmetric-top molecule. The method forgoes the idea of a full quantum mechanical treatment of the ro-vibrational motion of the molecule. Instead, it employs a semi-classical Green's function approach to describe the rotational motion, while retaining a quantum mechanical description of the vibrations. Similar approaches have existed for some time, but the method proposed here has two novel features. First, inspired by the path integral method, periodic orbits in the phase space and tunneling paths are naturally obtained by means of molecular symmetry analysis. Second, the rigorous variational method is employed for the first time to describe the molecular vibrations. In addition, we present a new robust approach to generating rotational energy surfaces for vibrationally excited states; this is done in a fully quantum-mechanical, variational manner. The semi-classical approach of the present work is applied to calculating the energies of very highly excited rotational states and it reduces dramatically the computing time as well as the storage and memory requirements when compared to the fullly quantum-mechanical variational approach. Test calculations for excited states of SO2 yield semi-classical energies in very good agreement with the available experimental data and the results of fully quantum-mechanical calculations. PMID:28000807

Framework for understanding the patterns of student difficulties in quantum mechanics

NASA Astrophysics Data System (ADS)

Marshman, Emily; Singh, Chandralekha

2015-12-01

[This paper is part of the Focused Collection on Upper Division Physics Courses.] Compared with introductory physics, relatively little is known about the development of expertise in advanced physics courses, especially in the case of quantum mechanics. Here, we describe a framework for understanding the patterns of student reasoning difficulties and how students develop expertise in quantum mechanics. The framework posits that the challenges many students face in developing expertise in quantum mechanics are analogous to the challenges introductory students face in developing expertise in introductory classical mechanics. This framework incorporates both the effects of diversity in upper-level students' prior preparation, goals, and motivation in general (i.e., the facts that even in upper-level courses, students may be inadequately prepared, have unclear goals, and have insufficient motivation to excel) as well as the "paradigm shift" from classical mechanics to quantum mechanics. The framework is based on empirical investigations demonstrating that the patterns of reasoning, problem-solving, and self-monitoring difficulties in quantum mechanics bear a striking resemblance to those found in introductory classical mechanics. Examples from research in quantum mechanics and introductory classical mechanics are discussed to illustrate how the patterns of difficulties are analogous as students learn to unpack the respective principles and grasp the formalism in each knowledge domain during the development of expertise. Embracing such a framework and contemplating the parallels between the difficulties in these two knowledge domains can enable researchers to leverage the extensive literature for introductory physics education research to guide the design of teaching and learning tools for helping students develop expertise in quantum mechanics.

Quantum formalism for classical statistics

NASA Astrophysics Data System (ADS)

Wetterich, C.

2018-06-01

In static classical statistical systems the problem of information transport from a boundary to the bulk finds a simple description in terms of wave functions or density matrices. While the transfer matrix formalism is a type of Heisenberg picture for this problem, we develop here the associated Schrödinger picture that keeps track of the local probabilistic information. The transport of the probabilistic information between neighboring hypersurfaces obeys a linear evolution equation, and therefore the superposition principle for the possible solutions. Operators are associated to local observables, with rules for the computation of expectation values similar to quantum mechanics. We discuss how non-commutativity naturally arises in this setting. Also other features characteristic of quantum mechanics, such as complex structure, change of basis or symmetry transformations, can be found in classical statistics once formulated in terms of wave functions or density matrices. We construct for every quantum system an equivalent classical statistical system, such that time in quantum mechanics corresponds to the location of hypersurfaces in the classical probabilistic ensemble. For suitable choices of local observables in the classical statistical system one can, in principle, compute all expectation values and correlations of observables in the quantum system from the local probabilistic information of the associated classical statistical system. Realizing a static memory material as a quantum simulator for a given quantum system is not a matter of principle, but rather of practical simplicity.

Teaching Classical Mechanics Using Smartphones

ERIC Educational Resources Information Center

Chevrier, Joel; Madani, Laya; Ledenmat, Simon; Bsiesy, Ahmad

2013-01-01

A number of articles published in this column have dealt with topics in classical mechanics. This note describes some additional examples employing a smartphone and the new software iMecaProf. Steve Jobs presented the iPhone as "perfect for gaming." Thanks to its microsensors connected in real time to the numerical world, physics…

Classical and quantum filaments in the ground state of trapped dipolar Bose gases

NASA Astrophysics Data System (ADS)

Cinti, Fabio; Boninsegni, Massimo

2017-07-01

We study, by quantum Monte Carlo simulations, the ground state of a harmonically confined dipolar Bose gas with aligned dipole moments and with the inclusion of a repulsive two-body potential of varying range. Two different limits can clearly be identified, namely, a classical one in which the attractive part of the dipolar interaction dominates and the system forms an ordered array of parallel filaments and a quantum-mechanical one, wherein filaments are destabilized by zero-point motion, and eventually the ground state becomes a uniform cloud. The physical character of the system smoothly evolves from classical to quantum mechanical as the range of the repulsive two-body potential increases. An intermediate regime is observed in which ordered filaments are still present, albeit forming different structures from the ones predicted classically; quantum-mechanical exchanges of indistinguishable particles across different filaments allow phase coherence to be established, underlying a global superfluid response.

Novel Evasion Mechanisms of the Classical Complement Pathway

PubMed Central

Garcia, Brandon L.; Zwarthoff, Seline A.; Rooijakkers, Suzan H. M.; Geisbrecht, Brian V.

2016-01-01

Complement is a network of soluble and cell surface-associated proteins which gives rise to a self-amplifying, yet tightly regulated system with fundamental roles in immune surveillance and clearance. Complement becomes activated on the surface of ‘non-self’ cells by one of three initiating mechanisms known as the classical, lectin, or alternative pathways. Evasion of complement function is a hallmark of invasive pathogens and hematophagous organisms. While many complement inhibition strategies hinge on hijacking activities of endogenous complement regulatory proteins, an increasing number of uniquely evolved evasion molecules have been discovered over the past decade. In this review we focus on several recent investigations which have revealed mechanistically distinct inhibitors of the classical pathway. Because the classical pathway is an important and specific mediator of various autoimmune and inflammatory disorders, in-depth knowledge of novel evasion mechanisms could direct future development of therapeutic anti-inflammatory molecules. PMID:27591336

Novel Evasion Mechanisms of the Classical Complement Pathway.

PubMed

Garcia, Brandon L; Zwarthoff, Seline A; Rooijakkers, Suzan H M; Geisbrecht, Brian V

2016-09-15

Complement is a network of soluble and cell surface-associated proteins that gives rise to a self-amplifying, yet tightly regulated system with fundamental roles in immune surveillance and clearance. Complement becomes activated on the surface of nonself cells by one of three initiating mechanisms known as the classical, lectin, and alternative pathways. Evasion of complement function is a hallmark of invasive pathogens and hematophagous organisms. Although many complement-inhibition strategies hinge on hijacking activities of endogenous complement regulatory proteins, an increasing number of uniquely evolved evasion molecules have been discovered over the past decade. In this review, we focus on several recent investigations that revealed mechanistically distinct inhibitors of the classical pathway. Because the classical pathway is an important and specific mediator of various autoimmune and inflammatory disorders, in-depth knowledge of novel evasion mechanisms could direct future development of therapeutic anti-inflammatory molecules. Copyright © 2016 by The American Association of Immunologists, Inc.

Algebraic techniques for diagonalization of a split quaternion matrix in split quaternionic mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Tongsong, E-mail: jiangtongsong@sina.com; Department of Mathematics, Heze University, Heze, Shandong 274015; Jiang, Ziwu

In the study of the relation between complexified classical and non-Hermitian quantum mechanics, physicists found that there are links to quaternionic and split quaternionic mechanics, and this leads to the possibility of employing algebraic techniques of split quaternions to tackle some problems in complexified classical and quantum mechanics. This paper, by means of real representation of a split quaternion matrix, studies the problem of diagonalization of a split quaternion matrix and gives algebraic techniques for diagonalization of split quaternion matrices in split quaternionic mechanics.

[Today's meaning of classical authors of political thinking].

PubMed

Weinacht, Paul-Ludwig

2005-01-01

How can classical political authors be actualised? The question is asked in a discipline which is founded in old traditions: the political science. One of its great matters is the history of political ideas. Classic authors are treated in many books, but they are viewed in different perspectives; colleagues do not agree with shining and bad examples. For actualising classic we have to go a methodically reflected way: historic not historicistic, with sensibility for classic and christian norms without dogmatism or scepticism. Searching the permanent problems we try to translate the original concepts of the classic authors carefully in our time. For demonstrating our method of actualising, we choose the French classical author Montesquieu. His famous concept of division of powers is misunderstood as a "liberal" mechanism which works in itself in favour of freedom (such as Kant made work a "natural mechanism" in a people of devils in favour of their legality); in reality Montesquieu acknoledges that constitutional und organisational work cannot stabilise themselves but must be found in social character and in human virtues.

Young's moduli of carbon materials investigated by various classical molecular dynamics schemes

NASA Astrophysics Data System (ADS)

Gayk, Florian; Ehrens, Julian; Heitmann, Tjark; Vorndamme, Patrick; Mrugalla, Andreas; Schnack, Jürgen

2018-05-01

For many applications classical carbon potentials together with classical molecular dynamics are employed to calculate structures and physical properties of such carbon-based materials where quantum mechanical methods fail either due to the excessive size, irregular structure or long-time dynamics. Although such potentials, as for instance implemented in LAMMPS, yield reasonably accurate bond lengths and angles for several carbon materials such as graphene, it is not clear how accurate they are in terms of mechanical properties such as for instance Young's moduli. We performed large-scale classical molecular dynamics investigations of three carbon-based materials using the various potentials implemented in LAMMPS as well as the EDIP potential of Marks. We show how the Young's moduli vary with classical potentials and compare to experimental results. Since classical descriptions of carbon are bound to be approximations it is not astonishing that different realizations yield differing results. One should therefore carefully check for which observables a certain potential is suited. Our aim is to contribute to such a clarification.

Feeding Behavior of Aplysia: A Model System for Comparing Cellular Mechanisms of Classical and Operant Conditioning

ERIC Educational Resources Information Center

Baxter, Douglas A.; Byrne, John H.

2006-01-01

Feeding behavior of Aplysia provides an excellent model system for analyzing and comparing mechanisms underlying appetitive classical conditioning and reward operant conditioning. Behavioral protocols have been developed for both forms of associative learning, both of which increase the occurrence of biting following training. Because the neural…

Observed positive vegetation-rainfall feedbacks in the Sahel dominated by a moisture recycling mechanism

DOE PAGES

Yu, Yan; Notaro, Michael; Wang, Fuyao; ...

2017-11-30

Classic, model-based theory of land-atmosphere interactions across the Sahel promote positive vegetation-rainfall feedbacks dominated by surface albedo mechanism. However, neither the proposed positive vegetation-rainfall feedback nor its underlying albedo mechanism has been convincingly demonstrated using observational data. Here, we present observational evidence for the region’s proposed positive vegetation-rainfall feedback on the seasonal to interannual time scale, and find that it is associated with a moisture recycling mechanism, rather than the classic albedo-based mechanism. Positive anomalies of remotely sensed vegetation greenness across the Sahel during the late and post-monsoon periods favor enhanced evapotranspiration, precipitable water, convective activity and rainfall, indicative ofmore » amplified moisture recycling. The identified modest low-level cooling and anomalous atmospheric subsidence in response to positive vegetation greenness anomalies are counter to the responses expected through the classic vegetation-albedo feedback mechanism. The observational analysis further reveals enhanced dust emissions in response to diminished Sahel vegetation growth, potentially contributing to the positive vegetation-rainfall feedback.« less

Observed positive vegetation-rainfall feedbacks in the Sahel dominated by a moisture recycling mechanism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Yan; Notaro, Michael; Wang, Fuyao

Classic, model-based theory of land-atmosphere interactions across the Sahel promote positive vegetation-rainfall feedbacks dominated by surface albedo mechanism. However, neither the proposed positive vegetation-rainfall feedback nor its underlying albedo mechanism has been convincingly demonstrated using observational data. Here, we present observational evidence for the region’s proposed positive vegetation-rainfall feedback on the seasonal to interannual time scale, and find that it is associated with a moisture recycling mechanism, rather than the classic albedo-based mechanism. Positive anomalies of remotely sensed vegetation greenness across the Sahel during the late and post-monsoon periods favor enhanced evapotranspiration, precipitable water, convective activity and rainfall, indicative ofmore » amplified moisture recycling. The identified modest low-level cooling and anomalous atmospheric subsidence in response to positive vegetation greenness anomalies are counter to the responses expected through the classic vegetation-albedo feedback mechanism. The observational analysis further reveals enhanced dust emissions in response to diminished Sahel vegetation growth, potentially contributing to the positive vegetation-rainfall feedback.« less

Classical theory of atomic collisions - The first hundred years

NASA Astrophysics Data System (ADS)

Grujić, Petar V.

2012-05-01

Classical calculations of the atomic processes started in 1911 with famous Rutherford's evaluation of the differential cross section for α particles scattered on foil atoms [1]. The success of these calculations was soon overshadowed by the rise of Quantum Mechanics in 1925 and its triumphal success in describing processes at the atomic and subatomic levels. It was generally recognized that the classical approach should be inadequate and it was neglected until 1953, when the famous paper by Gregory Wannier appeared, in which the threshold law for the single ionization cross section behaviour by electron impact was derived. All later calculations and experimental studies confirmed the law derived by purely classical theory. The next step was taken by Ian Percival and collaborators in 60s, who developed a general classical three-body computer code, which was used by many researchers in evaluating various atomic processes like ionization, excitation, detachment, dissociation, etc. Another approach was pursued by Michal Gryzinski from Warsaw, who started a far reaching programme for treating atomic particles and processes as purely classical objects [2]. Though often criticized for overestimating the domain of the classical theory, results of his group were able to match many experimental data. Belgrade group was pursuing the classical approach using both analytical and numerical calculations, studying a number of atomic collisions, in particular near-threshold processes. Riga group, lead by Modris Gailitis [3], contributed considerably to the field, as it was done by Valentin Ostrovsky and coworkers from Sanct Petersbourg, who developed powerful analytical methods within purely classical mechanics [4]. We shall make an overview of these approaches and show some of the remarkable results, which were subsequently confirmed by semiclassical and quantum mechanical calculations, as well as by the experimental evidence. Finally we discuss the theoretical and epistemological background of the classical calculations and explain why these turned out so successful, despite the essentially quantum nature of the atomic and subatomic systems.

Quantum approach to classical statistical mechanics.

PubMed

Somma, R D; Batista, C D; Ortiz, G

2007-07-20

We present a new approach to study the thermodynamic properties of d-dimensional classical systems by reducing the problem to the computation of ground state properties of a d-dimensional quantum model. This classical-to-quantum mapping allows us to extend the scope of standard optimization methods by unifying them under a general framework. The quantum annealing method is naturally extended to simulate classical systems at finite temperatures. We derive the rates to assure convergence to the optimal thermodynamic state using the adiabatic theorem of quantum mechanics. For simulated and quantum annealing, we obtain the asymptotic rates of T(t) approximately (pN)/(k(B)logt) and gamma(t) approximately (Nt)(-c/N), for the temperature and magnetic field, respectively. Other annealing strategies are also discussed.

Photosynthetic Energy Transfer at the Quantum/Classical Border.

PubMed

Keren, Nir; Paltiel, Yossi

2018-06-01

Quantum mechanics diverges from the classical description of our world when very small scales or very fast processes are involved. Unlike classical mechanics, quantum effects cannot be easily related to our everyday experience and are often counterintuitive to us. Nevertheless, the dimensions and time scales of the photosynthetic energy transfer processes puts them close to the quantum/classical border, bringing them into the range of measurable quantum effects. Here we review recent advances in the field and suggest that photosynthetic processes can take advantage of the sensitivity of quantum effects to the environmental 'noise' as means of tuning exciton energy transfer efficiency. If true, this design principle could be a base for 'nontrivial' coherent wave property nano-devices. Copyright © 2018 Elsevier Ltd. All rights reserved.

A Primer on Elliptic Functions with Applications in Classical Mechanics

ERIC Educational Resources Information Center

Brizard, Alain J.

2009-01-01

The Jacobi and Weierstrass elliptic functions used to be part of the standard mathematical arsenal of physics students. They appear as solutions of many important problems in classical mechanics: the motion of a planar pendulum (Jacobi), the motion of a force-free asymmetric top (Jacobi), the motion of a spherical pendulum (Weierstrass) and the…

Misconceptions on Classical Mechanics by Freshman University Students: A Case Study in a Physics Department in Greece

ERIC Educational Resources Information Center

Stylos, George; Evangelakis, George A.; Kotsis, Konstantinos T.

2008-01-01

This paper presents results of an empirical research study on Newton's laws classical mechanics and its perceptions on freshman students at the Physics Department, University of Ioannina, Greece. Results and outcome measures reveal misconceptions on students' perceptions in consideration of the fundamental concepts in freshman Physics education.…

Breakdown of the classical description of a local system.

PubMed

Kot, Eran; Grønbech-Jensen, Niels; Nielsen, Bo M; Neergaard-Nielsen, Jonas S; Polzik, Eugene S; Sørensen, Anders S

2012-06-08

We provide a straightforward demonstration of a fundamental difference between classical and quantum mechanics for a single local system: namely, the absence of a joint probability distribution of the position x and momentum p. Elaborating on a recently reported criterion by Bednorz and Belzig [Phys. Rev. A 83, 052113 (2011)] we derive a simple criterion that must be fulfilled for any joint probability distribution in classical physics. We demonstrate the violation of this criterion using the homodyne measurement of a single photon state, thus proving a straightforward signature of the breakdown of a classical description of the underlying state. Most importantly, the criterion used does not rely on quantum mechanics and can thus be used to demonstrate nonclassicality of systems not immediately apparent to exhibit quantum behavior. The criterion is directly applicable to any system described by the continuous canonical variables x and p, such as a mechanical or an electrical oscillator and a collective spin of a large ensemble.

Associative Learning in Invertebrates

PubMed Central

Hawkins, Robert D.; Byrne, John H.

2015-01-01

This work reviews research on neural mechanisms of two types of associative learning in the marine mollusk Aplysia, classical conditioning of the gill- and siphon-withdrawal reflex and operant conditioning of feeding behavior. Basic classical conditioning is caused in part by activity-dependent facilitation at sensory neuron–motor neuron (SN–MN) synapses and involves a hybrid combination of activity-dependent presynaptic facilitation and Hebbian potentiation, which are coordinated by trans-synaptic signaling. Classical conditioning also shows several higher-order features, which might be explained by the known circuit connections in Aplysia. Operant conditioning is caused in part by a different type of mechanism, an intrinsic increase in excitability of an identified neuron in the central pattern generator (CPG) for feeding. However, for both classical and operant conditioning, adenylyl cyclase is a molecular site of convergence of the two signals that are associated. Learning in other invertebrate preparations also involves many of the same mechanisms, which may contribute to learning in vertebrates as well. PMID:25877219

Resolution of quantum singularities

NASA Astrophysics Data System (ADS)

Konkowski, Deborah; Helliwell, Thomas

2017-01-01

A review of quantum singularities in static and conformally static spacetimes is given. A spacetime is said to be quantum mechanically non-singular if a quantum wave packet does not feel, in some sense, the presence of a singularity; mathematically, this means that the wave operator is essentially self-adjoint on the space of square integrable functions. Spacetimes with classical mild singularities (quasiregular ones) to spacetimes with classical strong curvature singularities have been tested. Here we discuss the similarities and differences between classical singularities that are healed quantum mechanically and those that are not. Possible extensions of the mathematical technique to more physically realistic spacetimes are discussed.

Canonical quantization of classical mechanics in curvilinear coordinates. Invariant quantization procedure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Błaszak, Maciej, E-mail: blaszakm@amu.edu.pl; Domański, Ziemowit, E-mail: ziemowit@amu.edu.pl

In the paper is presented an invariant quantization procedure of classical mechanics on the phase space over flat configuration space. Then, the passage to an operator representation of quantum mechanics in a Hilbert space over configuration space is derived. An explicit form of position and momentum operators as well as their appropriate ordering in arbitrary curvilinear coordinates is demonstrated. Finally, the extension of presented formalism onto non-flat case and related ambiguities of the process of quantization are discussed. -- Highlights: •An invariant quantization procedure of classical mechanics on the phase space over flat configuration space is presented. •The passage tomore » an operator representation of quantum mechanics in a Hilbert space over configuration space is derived. •Explicit form of position and momentum operators and their appropriate ordering in curvilinear coordinates is shown. •The invariant form of Hamiltonian operators quadratic and cubic in momenta is derived. •The extension of presented formalism onto non-flat case and related ambiguities of the quantization process are discussed.« less

Non-classicality criteria: Glauber-Sudarshan P function and Mandel ? parameter

NASA Astrophysics Data System (ADS)

Alexanian, Moorad

2018-01-01

We calculate exactly the quantum mechanical, temporal Wigner quasiprobability density for a single-mode, degenerate parametric amplifier for a system in the Gaussian state, viz., a displaced-squeezed thermal state. The Wigner function allows us to calculate the fluctuations in photon number and the quadrature variance. We contrast the difference between the non-classicality criteria, which is independent of the displacement parameter ?, based on the Glauber-Sudarshan quasiprobability distribution ? and the classical/non-classical behaviour of the Mandel ? parameter, which depends strongly on ?. We find a phase transition as a function of ? such that at the critical point ?, ?, as a function of ?, goes from strictly classical, for ?, to a mixed classical/non-classical behaviour, for ?.

On classical and quantum dynamics of tachyon-like fields and their cosmological implications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dimitrijević, Dragoljub D., E-mail: ddrag@pmf.ni.ac.rs; Djordjević, Goran S., E-mail: ddrag@pmf.ni.ac.rs; Milošević, Milan, E-mail: ddrag@pmf.ni.ac.rs

2014-11-24

We consider a class of tachyon-like potentials, motivated by string theory, D-brane dynamics and inflation theory in the context of classical and quantum mechanics. A formalism for describing dynamics of tachyon fields in spatially homogenous and one-dimensional - classical and quantum mechanical limit is proposed. A few models with concrete potentials are considered. Additionally, possibilities for p-adic and adelic generalization of these models are discussed. Classical actions and corresponding quantum propagators, in the Feynman path integral approach, are calculated in a form invariant on a change of the background number fields, i.e. on both archimedean and nonarchimedean spaces. Looking formore » a quantum origin of inflation, relevance of p-adic and adelic generalizations are briefly discussed.« less

The Classical Theory of Light Colors: a Paradigm for Description of Particle Interactions

NASA Astrophysics Data System (ADS)

Mazilu, Nicolae; Agop, Maricel; Gatu, Irina; Iacob, Dan Dezideriu; Butuc, Irina; Ghizdovat, Vlad

2016-06-01

The color is an interaction property: of the interaction of light with matter. Classically speaking it is therefore akin to the forces. But while forces engendered the mechanical view of the world, the colors generated the optical view. One of the modern concepts of interaction between the fundamental particles of matter - the quantum chromodynamics - aims to fill the gap between mechanics and optics, in a specific description of strong interactions. We show here that this modern description of the particle interactions has ties with both the classical and quantum theories of light, regardless of the connection between forces and colors. In a word, the light is a universal model in the description of matter. The description involves classical Yang-Mills fields related to color.

Constraints on primordial magnetic fields from inflation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Green, Daniel; Kobayashi, Takeshi, E-mail: drgreen@cita.utoronto.ca, E-mail: takeshi.kobayashi@sissa.it

2016-03-01

We present generic bounds on magnetic fields produced from cosmic inflation. By investigating field bounds on the vector potential, we constrain both the quantum mechanical production of magnetic fields and their classical growth in a model independent way. For classical growth, we show that only if the reheating temperature is as low as T{sub reh} ∼< 10{sup 2} MeV can magnetic fields of 10{sup −15} G be produced on Mpc scales in the present universe. For purely quantum mechanical scenarios, even stronger constraints are derived. Our bounds on classical and quantum mechanical scenarios apply to generic theories of inflationary magnetogenesis with a two-derivative timemore » kinetic term for the vector potential. In both cases, the magnetic field strength is limited by the gravitational back-reaction of the electric fields that are produced simultaneously. As an example of quantum mechanical scenarios, we construct vector field theories whose time diffeomorphisms are spontaneously broken, and explore magnetic field generation in theories with a variable speed of light. Transitions of quantum vector field fluctuations into classical fluctuations are also analyzed in the examples.« less

Feeding behavior of Aplysia: a model system for comparing cellular mechanisms of classical and operant conditioning.

PubMed

Baxter, Douglas A; Byrne, John H

2006-01-01

Feeding behavior of Aplysia provides an excellent model system for analyzing and comparing mechanisms underlying appetitive classical conditioning and reward operant conditioning. Behavioral protocols have been developed for both forms of associative learning, both of which increase the occurrence of biting following training. Because the neural circuitry that mediates the behavior is well characterized and amenable to detailed cellular analyses, substantial progress has been made toward a comparative analysis of the cellular mechanisms underlying these two forms of associative learning. Both forms of associative learning use the same reinforcement pathway (the esophageal nerve, En) and the same reinforcement transmitter (dopamine, DA). In addition, at least one cellular locus of plasticity (cell B51) is modified by both forms of associative learning. However, the two forms of associative learning have opposite effects on B51. Classical conditioning decreases the excitability of B51, whereas operant conditioning increases the excitability of B51. Thus, the approach of using two forms of associative learning to modify a single behavior, which is mediated by an analytically tractable neural circuit, is revealing similarities and differences in the mechanisms that underlie classical and operant conditioning.

Foundations of Quantum Mechanics: Derivation of a dissipative Schrödinger equation from first principles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gonçalves, L.A.; Olavo, L.S.F., E-mail: olavolsf@gmail.com

Dissipation in Quantum Mechanics took some time to become a robust field of investigation after the birth of the field. The main issue hindering developments in the field is that the Quantization process was always tightly connected to the Hamiltonian formulation of Classical Mechanics. In this paper we present a quantization process that does not depend upon the Hamiltonian formulation of Classical Mechanics (although still departs from Classical Mechanics) and thus overcome the problem of finding, from first principles, a completely general Schrödinger equation encompassing dissipation. This generalized process of quantization is shown to be nothing but an extension ofmore » a more restricted version that is shown to produce the Schrödinger equation for Hamiltonian systems from first principles (even for Hamiltonian velocity dependent potential). - Highlights: • A Quantization process independent of the Hamiltonian formulation of quantum Mechanics is proposed. • This quantization method is applied to dissipative or absorptive systems. • A Dissipative Schrödinger equation is derived from first principles.« less

Frequent Activation Delay-Induced Mechanical Dyssynchrony and Dysfunction in the Systemic Right Ventricle.

PubMed

Forsha, Daniel; Risum, Niels; Smith, P Brian; Kanter, Ronald J; Samad, Zainab; Barker, Piers; Kisslo, Joseph

2016-11-01

Patients with systemic right ventricles frequently experience progressive heart failure and conduction abnormalities leading to abnormal ventricular activation. Activation delay-induced mechanical dyssynchrony can contribute to ventricular failure and is identified by a classic strain pattern of paradoxical opposing wall motion that is an excellent predictor of response to cardiac resynchronization therapy in adults with left bundle branch block. The specific aims of this study were to compare right ventricular (RV) mechanics in an adult systemic right ventricle population versus control subjects, evaluate the feasibility of this RV strain pattern analysis, and determine the frequency of the classic pattern. Young adults (n = 25) with d-transposition of the great arteries, status post Mustard or Senning palliation (TGA-MS), were ambispectively enrolled and compared with healthy young adults (n = 30) who were prospectively enrolled. All subjects were imaged using novel three-apical view (18-segment) RV longitudinal speckle-tracking strain analysis (EchoPAC) and electrocardiographic data. Patients with TGA-MS had diminished RV global peak systolic strain compared with control subjects (-12.0 ± 4.0% vs -23.3 ± 2.3%, P < .001). Most patients with TGA-MS had intrinsic or left ventricular paced right bundle branch block. A classic pattern was present in 11 of 25 subjects (44%), but this pattern would have been missed in four of 11 based only on the RV four-chamber (six-segment) model. Only three subjects underwent cardiac resynchronization therapy. Both subjects who had the classic pattern responded to cardiac resynchronization therapy, whereas the one nonresponder did not have the classic pattern. Systemic right ventricles demonstrated decreased function and increased mechanical dyssynchrony. The classic pattern of activation delay-induced mechanical dyssynchrony was frequently seen in this TGA-MS population and associated with activation delays. This comprehensive RV approach demonstrated incremental value. Copyright © 2016 American Society of Echocardiography. Published by Elsevier Inc. All rights reserved.

Metal Ion Modeling Using Classical Mechanics

PubMed Central

2017-01-01

Metal ions play significant roles in numerous fields including chemistry, geochemistry, biochemistry, and materials science. With computational tools increasingly becoming important in chemical research, methods have emerged to effectively face the challenge of modeling metal ions in the gas, aqueous, and solid phases. Herein, we review both quantum and classical modeling strategies for metal ion-containing systems that have been developed over the past few decades. This Review focuses on classical metal ion modeling based on unpolarized models (including the nonbonded, bonded, cationic dummy atom, and combined models), polarizable models (e.g., the fluctuating charge, Drude oscillator, and the induced dipole models), the angular overlap model, and valence bond-based models. Quantum mechanical studies of metal ion-containing systems at the semiempirical, ab initio, and density functional levels of theory are reviewed as well with a particular focus on how these methods inform classical modeling efforts. Finally, conclusions and future prospects and directions are offered that will further enhance the classical modeling of metal ion-containing systems. PMID:28045509

Autonomous quantum to classical transitions and the generalized imaging theorem

NASA Astrophysics Data System (ADS)

Briggs, John S.; Feagin, James M.

2016-03-01

The mechanism of the transition of a dynamical system from quantum to classical mechanics is of continuing interest. Practically it is of importance for the interpretation of multi-particle coincidence measurements performed at macroscopic distances from a microscopic reaction zone. Here we prove the generalized imaging theorem which shows that the spatial wave function of any multi-particle quantum system, propagating over distances and times large on an atomic scale but still microscopic, and subject to deterministic external fields and particle interactions, becomes proportional to the initial momentum wave function where the position and momentum coordinates define a classical trajectory. Currently, the quantum to classical transition is considered to occur via decoherence caused by stochastic interaction with an environment. The imaging theorem arises from unitary Schrödinger propagation and so is valid without any environmental interaction. It implies that a simultaneous measurement of both position and momentum will define a unique classical trajectory, whereas a less complete measurement of say position alone can lead to quantum interference effects.

Autonomous quantum to classical transitions and the generalized imaging theorem

DOE PAGES

Briggs, John S.; Feagin, James M.

2016-03-16

The mechanism of the transition of a dynamical system from quantum to classical mechanics is of continuing interest. Practically it is of importance for the interpretation of multi-particle coincidence measurements performed at macroscopic distances from a microscopic reaction zone. We prove the generalized imaging theorem which shows that the spatial wave function of any multi-particle quantum system, propagating over distances and times large on an atomic scale but still microscopic, and subject to deterministic external fields and particle interactions, becomes proportional to the initial momentum wave function where the position and momentum coordinates define a classical trajectory. Now, the quantummore » to classical transition is considered to occur via decoherence caused by stochastic interaction with an environment. The imaging theorem arises from unitary Schrödinger propagation and so is valid without any environmental interaction. It implies that a simultaneous measurement of both position and momentum will define a unique classical trajectory, whereas a less complete measurement of say position alone can lead to quantum interference effects.« less

Real-time molecular scale observation of crystal formation.

PubMed

Schreiber, Roy E; Houben, Lothar; Wolf, Sharon G; Leitus, Gregory; Lang, Zhong-Ling; Carbó, Jorge J; Poblet, Josep M; Neumann, Ronny

2017-04-01

How molecules in solution form crystal nuclei, which then grow into large crystals, is a poorly understood phenomenon. The classical mechanism of homogeneous crystal nucleation proceeds via the spontaneous random aggregation of species from liquid or solution. However, a non-classical mechanism suggests the formation of an amorphous dense phase that reorders to form stable crystal nuclei. So far it has remained an experimental challenge to observe the formation of crystal nuclei from five to thirty molecules. Here, using polyoxometallates, we show that the formation of small crystal nuclei is observable by cryogenic transmission electron microscopy. We observe both classical and non-classical nucleation processes, depending on the identity of the cation present. The experiments verify theoretical studies that suggest non-classical nucleation is the lower of the two energy pathways. The arrangement in just a seven-molecule proto-crystal matches the order found by X-ray diffraction of a single bulk crystal, which demonstrates that the same structure was formed in each case.

Classical and Quantum-Mechanical State Reconstruction

ERIC Educational Resources Information Center

Khanna, F. C.; Mello, P. A.; Revzen, M.

2012-01-01

The aim of this paper is to present the subject of state reconstruction in classical and in quantum physics, a subject that deals with the experimentally acquired information that allows the determination of the physical state of a system. Our first purpose is to explain a method for retrieving a classical state in phase space, similar to that…

Dynamical Symmetries in Classical Mechanics

ERIC Educational Resources Information Center

Boozer, A. D.

2012-01-01

We show how symmetries of a classical dynamical system can be described in terms of operators that act on the state space for the system. We illustrate our results by considering a number of possible symmetries that a classical dynamical system might have, and for each symmetry we give examples of dynamical systems that do and do not possess that…

Optimum Onager: The Classical Mechanics of a Classical Siege Engine

ERIC Educational Resources Information Center

Denny, Mark

2009-01-01

The onager is a throwing weapon of classical antiquity, familiar to both the ancient Greeks and Romans. Here we analyze the dynamics of onager operation and derive the optimum angle for launching a projectile to its maximum range. There is plenty of scope for further considerations about increasing onager range, and so by thinking about how this…

A Synthetic Approach to the Transfer Matrix Method in Classical and Quantum Physics

ERIC Educational Resources Information Center

Pujol, O.; Perez, J. P.

2007-01-01

The aim of this paper is to propose a synthetic approach to the transfer matrix method in classical and quantum physics. This method is an efficient tool to deal with complicated physical systems of practical importance in geometrical light or charged particle optics, classical electronics, mechanics, electromagnetics and quantum physics. Teaching…

Quantum phase uncertainties in the classical limit

NASA Technical Reports Server (NTRS)

Franson, James D.

1994-01-01

Several sources of phase noise, including spontaneous emission noise and the loss of coherence due to which-path information, are examined in the classical limit of high field intensities. Although the origin of these effects may appear to be quantum-mechanical in nature, it is found that classical analogies for these effects exist in the form of chaos.

Quantum vs Classical Mechanics for a 'Simple' Dissociation Reaction. Should They Give the Same Results?

NASA Astrophysics Data System (ADS)

Holloway, Stephen

1997-03-01

When performing molecular dynamical simulations on light systems at low energies, there is always the risk of producing data that bear no similarity to experiment. Indeed, John Barker himself was particularly anxious about treating Ar scattering from surfaces using classical mechanics where it had been shown experimentally in his own lab that diffraction occurs. In such cases, the correct procedure is probably to play the trump card "... well of course, quantum effects will modify this so that....." and retire gracefully. For our particular interests, the tables are turned in that we are interested in gas-surface dynamical studies for highly quantized systems, but would be interested to know when it is possible to use classical mechanics in order that a greater dimensionality might be treated. For molecular dissociation and scattering, it has been oft quoted that the greater the number of degrees of freedom, the more appropriate is classical mechanics, primarily because of the mass averaging over the quantized dimensions. Is this true? We have been investigating the dissociation of hydrogen molecules at surfaces and in this talk I will present quantum results for dissociation and scattering, along with a novel method for their interpretation based upon adiabatic potential energy surfaces. Comparison with classical calculations will be made and conclusions drawn. a novel method for their interpretation based upon adiabatic potential energy surfaces

The serotonin 5-HT2C receptor and the non-addictive nature of classic hallucinogens.

PubMed

Canal, Clinton E; Murnane, Kevin S

2017-01-01

Classic hallucinogens share pharmacology as serotonin 5-HT 2A , 5-HT 2B , and 5-HT 2C receptor agonists. Unique among most other Schedule 1 drugs, they are generally non-addictive and can be effective tools in the treatment of addiction. Mechanisms underlying these attributes are largely unknown. However, many preclinical studies show that 5-HT 2C agonists counteract the addictive effects of drugs from several classes, suggesting this pharmacological property of classic hallucinogens may be significant. Drawing from a comprehensive analysis of preclinical behavior, neuroanatomy, and neurochemistry studies, this review builds rationale for this hypothesis, and also proposes a testable, neurobiological framework. 5-HT 2C agonists work, in part, by modulating dopamine neuron activity in the ventral tegmental area-nucleus accumbens (NAc) reward pathway. We argue that activation of 5-HT 2C receptors on NAc shell, GABAergic, medium spiny neurons inhibits potassium Kv1.x channels, thereby enhancing inhibitory activity via intrinsic mechanisms. Together with experiments that show that addictive drugs, such as cocaine, potentiate Kv1.x channels, thereby suppressing NAc shell GABAergic activity, this hypothesis provides a mechanism by which classic hallucinogen-mediated stimulation of 5-HT 2C receptors could thwart addiction. It also provides a potential reason for the non-addictive nature of classic hallucinogens.

Experimental Evidence for Hydrogen Tunneling when the Isotopic Arrhenius Prefactor (AH/AD) is Unity

PubMed Central

Sharma, Sudhir C.; Klinman, Judith P.

2009-01-01

The temperature dependence of the kinetic isotope effect (KIE) is one of the major tools used for the investigation of hydrogen tunneling in condensed phase. Hydrogen transfer reactions displaying isotopic Arrhenius prefactor ratios (AH/AD) of unity are generally ascribed to a semi-classical mechanism. Here, we have identified a double mutant of soybean lipoxygenase (SLO-1, an enzyme previously shown to follow quantum mechanical hydrogen tunneling), that displays an AH/AD of unity and highly elevated (non-classical) KIEs. This observation highlights the shortcoming of assigning a hydrogen transfer reaction to a semi-classical model based solely on an Arrhenius prefactor ratio. PMID:19061319

Multiscale Modeling of Fracture in an SiO2 Nanorod

NASA Astrophysics Data System (ADS)

Mallik, Aditi

2005-11-01

The fracture of a 108 particle SiO2 nanorod under uniaxial strain is described using an NDDO quantum mechanics. The stress -- strain curve to failure is calculated as a function of strain rate to show a domain that is independent of strain rate. A pair potential for use in classical MD is constructed such that the elastic portion of the quantum curve is reproduced. However, it is shown that the classical analysis does not describe accurately the large strain behavior and failure. Finally, a composite rod is constructed with a small subsystem described by quantum mechanics and the remainder described by classical MD ^1. The stress -- strain curves for the classical, quantum, and composite rods are compared and contrasted. 1. ``Multiscale Modeling of Materials -- Concepts and Illustration'', A. Mallik, K. Runge, J. Dufty, and H-P Cheng, cond-mat 0507558.

The Biharmonic Oscillator and Asymmetric Linear Potentials: From Classical Trajectories to Momentum-Space Probability Densities in the Extreme Quantum Limit

ERIC Educational Resources Information Center

Ruckle, L. J.; Belloni, M.; Robinett, R. W.

2012-01-01

The biharmonic oscillator and the asymmetric linear well are two confining power-law-type potentials for which complete bound-state solutions are possible in both classical and quantum mechanics. We examine these problems in detail, beginning with studies of their trajectories in position and momentum space, evaluation of the classical probability…

Classical Field Theory and the Stress-Energy Tensor

NASA Astrophysics Data System (ADS)

Swanson, Mark S.

2015-09-01

This book is a concise introduction to the key concepts of classical field theory for beginning graduate students and advanced undergraduate students who wish to study the unifying structures and physical insights provided by classical field theory without dealing with the additional complication of quantization. In that regard, there are many important aspects of field theory that can be understood without quantizing the fields. These include the action formulation, Galilean and relativistic invariance, traveling and standing waves, spin angular momentum, gauge invariance, subsidiary conditions, fluctuations, spinor and vector fields, conservation laws and symmetries, and the Higgs mechanism, all of which are often treated briefly in a course on quantum field theory. The variational form of classical mechanics and continuum field theory are both developed in the time-honored graduate level text by Goldstein et al (2001). An introduction to classical field theory from a somewhat different perspective is available in Soper (2008). Basic classical field theory is often treated in books on quantum field theory. Two excellent texts where this is done are Greiner and Reinhardt (1996) and Peskin and Schroeder (1995). Green's function techniques are presented in Arfken et al (2013).

Bosonic seesaw mechanism in a classically conformal extension of the Standard Model

DOE PAGES

Haba, Naoyuki; Ishida, Hiroyuki; Okada, Nobuchika; ...

2016-01-29

We suggest the so-called bosonic seesaw mechanism in the context of a classically conformal U(1) B-L extension of the Standard Model with two Higgs doublet fields. The U(1) B-L symmetry is radiatively broken via the Coleman–Weinberg mechanism, which also generates the mass terms for the two Higgs doublets through quartic Higgs couplings. Their masses are all positive but, nevertheless, the electroweak symmetry breaking is realized by the bosonic seesaw mechanism. Analyzing the renormalization group evolutions for all model couplings, we find that a large hierarchy among the quartic Higgs couplings, which is crucial for the bosonic seesaw mechanism to work,more » is dramatically reduced toward high energies. Therefore, the bosonic seesaw is naturally realized with only a mild hierarchy, if some fundamental theory, which provides the origin of the classically conformal invariance, completes our model at some high energy, for example, the Planck scale. In conclusion, we identify the regions of model parameters which satisfy the perturbativity of the running couplings and the electroweak vacuum stability as well as the naturalness of the electroweak scale.« less

Strong correlations between the exponent α and the particle number for a Renyi monoatomic gas in Gibbs' statistical mechanics.

PubMed

Plastino, A; Rocca, M C

2017-06-01

Appealing to the 1902 Gibbs formalism for classical statistical mechanics (SM)-the first SM axiomatic theory ever that successfully explained equilibrium thermodynamics-we show that already at the classical level there is a strong correlation between Renyi's exponent α and the number of particles for very simple systems. No reference to heat baths is needed for such a purpose.

Classical continuum theory limits to determine the size-dependency of mechanical properties of GaN NWs

NASA Astrophysics Data System (ADS)

Zamani Kouhpanji, Mohammad Reza; Behzadirad, Mahmoud; Busani, Tito

2017-12-01

We used the stable strain gradient theory including acceleration gradients to investigate the classical and nonclassical mechanical properties of gallium nitride (GaN) nanowires (NWs). We predicted the static length scales, Young's modulus, and shear modulus of the GaN NWs from the experimental data. Combining these results with atomic simulations, we also found the dynamic length scale of the GaN NWs. Young's modulus, shear modulus, static, and dynamic length scales were found to be 318 GPa, 131 GPa, 8 nm, and 8.9 nm, respectively, usable for demonstrating the static and dynamic behaviors of GaN NWs having diameters from a few nm to bulk dimensions. Furthermore, the experimental data were analyzed with classical continuum theory (CCT) and compared with the available literature to illustrate the size-dependency of the mechanical properties of GaN NWs. This practice resolves the previous published discrepancies that happened due to the limitations of CCT used for determining the mechanical properties of GaN NWs and their size-dependency.

Classical Mechanics: A Modern Introduction

NASA Astrophysics Data System (ADS)

McCall, Martin W.

2000-12-01

Classical Mechanics is a clear introduction to the subject, combining a user-friendly style with an authoritative approach, whilst requiring minimal prerequisite mathematics - only elementary calculus and simple vectors are presumed. The text starts with a careful look at Newton's Laws, before applying them in one dimension to oscillations and collisions. More advanced applications - including gravitational orbits, rigid body dynamics and mechanics in rotating frames - are deferred until after the limitations of Newton's inertial frames have been highlighted through an exposition of Einstein's Special Relativity. The examples given throughout are often unusual for an elementary text, although they are made accessible through discussion and diagrams. Complete revision summaries are given at the end of each chapter, together with problems designed to be both illustrative and challenging. Features: * Comprehensive introduction to classical mechanics and relativity * Many novel examples, e.g. stability of the universe, falling cats, crickets bats and snooker * Includes many problems with numerical answers * Revision notes at the end of each chapter

A new mechanism for relativistic particle acceleration via wave-particle interaction

NASA Astrophysics Data System (ADS)

Lapenta, Giovanni; Markidis, Stefano; Marocchino, Alberto

2006-10-01

Often in laboratory, space and astrophysical plasma, high energy populations are observed. Two puzzling factors still defy our understanding. First, such populations of high energy particles produce power law distributions that are not only ubiquitous but also persistent in time. Such persistence is in direct contradiction to the H theorem that states the ineluctable transition of physical systems towards thermodynamic equilibrium, and ergo Maxwellian distributions. Second, such high energy populations are efficiently produced, much more efficiently than processes that we know can produce. A classic example of such a situation is cosmic rays where power alws extend up to tremendolus energy ranges. In the present work, we identify a new mechanism for particle acceleration via wave-particle interaction. The mechanism is peculiar to special relativity and has no classical equivalent. That explains why it is not observed in most simulation studies of plasma processes, based on classical physics. The mechanism is likely to be active in systems undergoing streaming instabilities and in particular shocked systems. The new mechanism can produce energy increases vastly superior to previously known mechanisms (such as Fermi acceleration) and can hold the promise of explaining at least some of the observed power laws.

Extending Bell's beables to encompass dissipation, decoherence, and the quantum-to-classical transition through quantum trajectories

NASA Astrophysics Data System (ADS)

Lorenzen, F.; de Ponte, M. A.; Moussa, M. H. Y.

2009-09-01

In this paper, employing the Itô stochastic Schrödinger equation, we extend Bell’s beable interpretation of quantum mechanics to encompass dissipation, decoherence, and the quantum-to-classical transition through quantum trajectories. For a particular choice of the source of stochasticity, the one leading to a dissipative Lindblad-type correction to the Hamiltonian dynamics, we find that the diffusive terms in Nelsons stochastic trajectories are naturally incorporated into Bohm’s causal dynamics, yielding a unified Bohm-Nelson theory. In particular, by analyzing the interference between quantum trajectories, we clearly identify the decoherence time, as estimated from the quantum formalism. We also observe the quantum-to-classical transition in the convergence of the infinite ensemble of quantum trajectories to their classical counterparts. Finally, we show that our extended beables circumvent the problems in Bohm’s causal dynamics regarding stationary states in quantum mechanics.

Quantum Bohmian model for financial market

NASA Astrophysics Data System (ADS)

Choustova, Olga Al.

2007-01-01

We apply methods of quantum mechanics for mathematical modeling of price dynamics at the financial market. The Hamiltonian formalism on the price/price-change phase space describes the classical-like evolution of prices. This classical dynamics of prices is determined by “hard” conditions (natural resources, industrial production, services and so on). These conditions are mathematically described by the classical financial potential V(q), where q=(q1,…,qn) is the vector of prices of various shares. But the information exchange and market psychology play important (and sometimes determining) role in price dynamics. We propose to describe such behavioral financial factors by using the pilot wave (Bohmian) model of quantum mechanics. The theory of financial behavioral waves takes into account the market psychology. The real trajectories of prices are determined (through the financial analogue of the second Newton law) by two financial potentials: classical-like V(q) (“hard” market conditions) and quantum-like U(q) (behavioral market conditions).

Information transport in classical statistical systems

NASA Astrophysics Data System (ADS)

Wetterich, C.

2018-02-01

For "static memory materials" the bulk properties depend on boundary conditions. Such materials can be realized by classical statistical systems which admit no unique equilibrium state. We describe the propagation of information from the boundary to the bulk by classical wave functions. The dependence of wave functions on the location of hypersurfaces in the bulk is governed by a linear evolution equation that can be viewed as a generalized Schrödinger equation. Classical wave functions obey the superposition principle, with local probabilities realized as bilinears of wave functions. For static memory materials the evolution within a subsector is unitary, as characteristic for the time evolution in quantum mechanics. The space-dependence in static memory materials can be used as an analogue representation of the time evolution in quantum mechanics - such materials are "quantum simulators". For example, an asymmetric Ising model on a Euclidean two-dimensional lattice represents the time evolution of free relativistic fermions in two-dimensional Minkowski space.

Drug resistance in leishmaniasis: current drug-delivery systems and future perspectives.

PubMed

Yasinzai, Masoom; Khan, Momin; Nadhman, Akhtar; Shahnaz, Gul

2013-10-01

Leishmaniasis is a complex of diseases with numerous clinical manifestations for instance harshness from skin lesions to severe disfigurement and chronic systemic infection in the liver and spleen. So far, the most classical leishmaniasis therapy, despite its documented toxicities, remains pentavalent antimonial compounds. The arvailable therapeutic modalities for leishmaniasis are overwhelmed with resistance to leishmaniasis therapy. Mechanisms of classical drug resistance are often related with the lower drug uptake, increased efflux, the faster drug metabolism, drug target modifications and over-expression of drug transporters. The high prevalence of leishmaniasis and the appearance of resistance to classical drugs reveal the demand to develop and explore novel, less toxic, low cost and more promising therapeutic modalities. The review describes the mechanisms of classical drug resistance and potential drug targets in Leishmania infection. Moreover, current drug-delivery systems and future perspectives towards Leishmaniasis treatment are also covered.

Collagen V haploinsufficiency in a murine model of classic Ehlers-Danlos syndrome is associated with deficient structural and mechanical healing in tendons.

PubMed

Johnston, Jessica M; Connizzo, Brianne K; Shetye, Snehal S; Robinson, Kelsey A; Huegel, Julianne; Rodriguez, Ashley B; Sun, Mei; Adams, Sheila M; Birk, David E; Soslowsky, Louis J

2017-12-01

Classic Ehlers-Danlos syndrome (EDS) patients suffer from connective tissue hyperelasticity, joint instability, skin hyperextensibility, tissue fragility, and poor wound healing due to heterozygous mutations in COL5a1 or COL5a2 genes. This study investigated the roles of collagen V in establishing structure and function in uninjured patellar tendons as well as in the injury response using a Col5a1 +/- mouse, a model for classic EDS. These analyses were done comparing tendons from a classic EDS model (Col5a1 +/- ) with wild-type controls. Tendons were subjected to mechanical testing, histological, and fibril analysis before injury as well as 3 and 6 weeks after injury. We found that Col5a1 +/- tendons demonstrated diminished recovery of mechanical competency after injury as compared to normal wild-type tendons, which recovered their pre-injury values by 6 weeks post injury. Additionally, the Col5a1 +/- tendons demonstrated altered fibril morphology and diameter distributions compared to the wild-type tendons. This study indicates that collagen V plays an important role in regulating collagen fibrillogenesis and the associated recovery of mechanical integrity in tendons after injury. In addition, the dysregulation with decreased collagen V expression in EDS is associated with a diminished injury response. The results presented herein have the potential to direct future targeted therapeutics for classic EDS patients. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:2707-2715, 2017. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Classical system boundaries cannot be determined within quantum Darwinism

NASA Astrophysics Data System (ADS)

Fields, Chris

Multiple observers who interact with environmental encodings of the states of a macroscopic quantum system S as required by quantum Darwinism cannot demonstrate that they are jointly observing S without a joint a priori assumption of a classical boundary separating S from its environment E. Quantum Darwinism cannot, therefore, be regarded as providing a purely quantum-mechanical explanation of the "emergence" of classicality.

Principles of Discrete Time Mechanics

NASA Astrophysics Data System (ADS)

Jaroszkiewicz, George

2014-04-01

1. Introduction; 2. The physics of discreteness; 3. The road to calculus; 4. Temporal discretization; 5. Discrete time dynamics architecture; 6. Some models; 7. Classical cellular automata; 8. The action sum; 9. Worked examples; 10. Lee's approach to discrete time mechanics; 11. Elliptic billiards; 12. The construction of system functions; 13. The classical discrete time oscillator; 14. Type 2 temporal discretization; 15. Intermission; 16. Discrete time quantum mechanics; 17. The quantized discrete time oscillator; 18. Path integrals; 19. Quantum encoding; 20. Discrete time classical field equations; 21. The discrete time Schrodinger equation; 22. The discrete time Klein-Gordon equation; 23. The discrete time Dirac equation; 24. Discrete time Maxwell's equations; 25. The discrete time Skyrme model; 26. Discrete time quantum field theory; 27. Interacting discrete time scalar fields; 28. Space, time and gravitation; 29. Causality and observation; 30. Concluding remarks; Appendix A. Coherent states; Appendix B. The time-dependent oscillator; Appendix C. Quaternions; Appendix D. Quantum registers; References; Index.

The Gibbs paradox and the physical criteria for indistinguishability of identical particles

NASA Astrophysics Data System (ADS)

Unnikrishnan, C. S.

2016-08-01

Gibbs paradox in the context of statistical mechanics addresses the issue of additivity of entropy of mixing gases. The usual discussion attributes the paradoxical situation to classical distinguishability of identical particles and credits quantum theory for enabling indistinguishability of identical particles to solve the problem. We argue that indistinguishability of identical particles is already a feature in classical mechanics and this is clearly brought out when the problem is treated in the language of information and associated entropy. We pinpoint the physical criteria for indistinguishability that is crucial for the treatment of the Gibbs’ problem and the consistency of its solution with conventional thermodynamics. Quantum mechanics provides a quantitative criterion, not possible in the classical picture, for the degree of indistinguishability in terms of visibility of quantum interference, or overlap of the states as pointed out by von Neumann, thereby endowing the entropy expression with mathematical continuity and physical reasonableness.

Uniform quantized electron gas

NASA Astrophysics Data System (ADS)

Høye, Johan S.; Lomba, Enrique

2016-10-01

In this work we study the correlation energy of the quantized electron gas of uniform density at temperature T  =  0. To do so we utilize methods from classical statistical mechanics. The basis for this is the Feynman path integral for the partition function of quantized systems. With this representation the quantum mechanical problem can be interpreted as, and is equivalent to, a classical polymer problem in four dimensions where the fourth dimension is imaginary time. Thus methods, results, and properties obtained in the statistical mechanics of classical fluids can be utilized. From this viewpoint we recover the well known RPA (random phase approximation). Then to improve it we modify the RPA by requiring the corresponding correlation function to be such that electrons with equal spins can not be on the same position. Numerical evaluations are compared with well known results of a standard parameterization of Monte Carlo correlation energies.

The Low-Renin Hypertension Phenotype: Genetics and the Role of the Mineralocorticoid Receptor.

PubMed

Baudrand, Rene; Vaidya, Anand

2018-02-11

A substantial proportion of patients with hypertension have a low or suppressed renin. This phenotype of low-renin hypertension (LRH) may be the manifestation of inherited genetic syndromes, acquired somatic mutations, or environmental exposures. Activation of the mineralocorticoid receptor is a common final mechanism for the development of LRH. Classically, the individual causes of LRH have been considered to be rare diseases; however, recent advances suggest that there are milder and "non-classical" variants of many LRH-inducing conditions. In this regard, our understanding of the underlying genetics and mechanisms accounting for LRH, and therefore, potentially the pathogenesis of a large subset of essential hypertension, is evolving. This review will discuss the potential causes of LRH, with a focus on implicated genetic mechanisms, the expanding recognition of non-classical variants of conditions that induce LRH, and the role of the mineralocorticoid receptor in determining this phenotype.

Statistical mechanics in the context of special relativity. II.

PubMed

Kaniadakis, G

2005-09-01

The special relativity laws emerge as one-parameter (light speed) generalizations of the corresponding laws of classical physics. These generalizations, imposed by the Lorentz transformations, affect both the definition of the various physical observables (e.g., momentum, energy, etc.), as well as the mathematical apparatus of the theory. Here, following the general lines of [Phys. Rev. E 66, 056125 (2002)], we show that the Lorentz transformations impose also a proper one-parameter generalization of the classical Boltzmann-Gibbs-Shannon entropy. The obtained relativistic entropy permits us to construct a coherent and self-consistent relativistic statistical theory, preserving the main features of the ordinary statistical theory, which is recovered in the classical limit. The predicted distribution function is a one-parameter continuous deformation of the classical Maxwell-Boltzmann distribution and has a simple analytic form, showing power law tails in accordance with the experimental evidence. Furthermore, this statistical mechanics can be obtained as the stationary case of a generalized kinetic theory governed by an evolution equation obeying the H theorem and reproducing the Boltzmann equation of the ordinary kinetics in the classical limit.

The serotonin 5-HT2C receptor and the non-addictive nature of classic hallucinogens

PubMed Central

Canal, Clinton E; Murnane, Kevin S

2017-01-01

Classic hallucinogens share pharmacology as serotonin 5-HT2A, 5-HT2B, and 5-HT2C receptor agonists. Unique among most other Schedule 1 drugs, they are generally non-addictive and can be effective tools in the treatment of addiction. Mechanisms underlying these attributes are largely unknown. However, many preclinical studies show that 5-HT2C agonists counteract the addictive effects of drugs from several classes, suggesting this pharmacological property of classic hallucinogens may be significant. Drawing from a comprehensive analysis of preclinical behavior, neuroanatomy, and neurochemistry studies, this review builds rationale for this hypothesis, and also proposes a testable, neurobiological framework. 5-HT2C agonists work, in part, by modulating dopamine neuron activity in the ventral tegmental area—nucleus accumbens (NAc) reward pathway. We argue that activation of 5-HT2C receptors on NAc shell, GABAergic, medium spiny neurons inhibits potassium Kv1.x channels, thereby enhancing inhibitory activity via intrinsic mechanisms. Together with experiments that show that addictive drugs, such as cocaine, potentiate Kv1.x channels, thereby suppressing NAc shell GABAergic activity, this hypothesis provides a mechanism by which classic hallucinogen-mediated stimulation of 5-HT2C receptors could thwart addiction. It also provides a potential reason for the non-addictive nature of classic hallucinogens. PMID:27903793

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donangelo, R.J.

An integral representation for the classical limit of the quantum mechanical S-matrix is developed and applied to heavy-ion Coulomb excitation and Coulomb-nuclear interference. The method combines the quantum principle of superposition with exact classical dynamics to describe the projectile-target system. A detailed consideration of the classical trajectories and of the dimensionless parameters that characterize the system is carried out. The results are compared, where possible, to exact quantum mechanical calculations and to conventional semiclassical calculations. It is found that in the case of backscattering the classical limit S-matrix method is able to almost exactly reproduce the quantum-mechanical S-matrix elements, andmore » therefore the transition probabilities, even for projectiles as light as protons. The results also suggest that this approach should be a better approximation for heavy-ion multiple Coulomb excitation than earlier semiclassical methods, due to a more accurate description of the classical orbits in the electromagnetic field of the target nucleus. Calculations using this method indicate that the rotational excitation probabilities in the Coulomb-nuclear interference region should be very sensitive to the details of the potential at the surface of the nucleus, suggesting that heavy-ion rotational excitation could constitute a sensitive probe of the nuclear potential in this region. The application to other problems as well as the present limits of applicability of the formalism are also discussed.« less

Quantum-classical correspondence for the inverted oscillator

NASA Astrophysics Data System (ADS)

Maamache, Mustapha; Ryeol Choi, Jeong

2017-11-01

While quantum-classical correspondence for a system is a very fundamental problem in modern physics, the understanding of its mechanism is often elusive, so the methods used and the results of detailed theoretical analysis have been accompanied by active debate. In this study, the differences and similarities between quantum and classical behavior for an inverted oscillator have been analyzed based on the description of a complete generalized Airy function-type quantum wave solution. The inverted oscillator model plays an important role in several branches of cosmology and particle physics. The quantum wave packet of the system is composed of many sub-packets that are localized at different positions with regular intervals between them. It is shown from illustrations of the probability density that, although the quantum trajectory of the wave propagation is somewhat different from the corresponding classical one, the difference becomes relatively small when the classical excitation is sufficiently high. We have confirmed that a quantum wave packet moving along a positive or negative direction accelerates over time like a classical wave. From these main interpretations and others in the text, we conclude that our theory exquisitely illustrates quantum and classical correspondence for the system, which is a crucial concept in quantum mechanics. Supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2016R1D1A1A09919503)

Transfer of Learning in Quantum Mechanics

NASA Astrophysics Data System (ADS)

Singh, Chandralekha

2005-09-01

We investigate the difficulties that undergraduate students in quantum mechanics courses have in transferring learning from previous courses or within the same course from one context to another by administering written tests and conducting individual interviews. Quantum mechanics is abstract and its paradigm is very different from the classical one. A good grasp of the principles of quantum mechanics requires creating and organizing a knowledge structure consistent with the quantum postulates. Previously learned concepts such as the principle of superposition and probability can be useful in quantum mechanics if students are given opportunity to build associations between new and prior knowledge. We also discuss the need for better alignment between quantum mechanics and modern physics courses taken previously because semi-classical models can impede internalization of the quantum paradigm in more advanced courses.

The fundamental role of mechanical properties in the progression of cancer disease and inflammation

NASA Astrophysics Data System (ADS)

Mierke, Claudia Tanja

2014-07-01

The role of mechanical properties in cancer disease and inflammation is still underinvestigated and even ignored in many oncological and immunological reviews. In particular, eight classical hallmarks of cancer have been proposed, but they still ignore the mechanics behind the processes that facilitate cancer progression. To define the malignant transformation of neoplasms and finally reveal the functional pathway that enables cancer cells to promote cancer progression, these classical hallmarks of cancer require the inclusion of specific mechanical properties of cancer cells and their microenvironment such as the extracellular matrix as well as embedded cells such as fibroblasts, macrophages or endothelial cells. Thus, this review will present current cancer research from a biophysical point of view and will therefore focus on novel physical aspects and biophysical methods to investigate the aggressiveness of cancer cells and the process of inflammation. As cancer or immune cells are embedded in a certain microenvironment such as the extracellular matrix, the mechanical properties of this microenvironment cannot be neglected, and alterations of the microenvironment may have an impact on the mechanical properties of the cancer or immune cells. Here, it is highlighted how biophysical approaches, both experimental and theoretical, have an impact on the classical hallmarks of cancer and inflammation. It is even pointed out how these biophysical approaches contribute to the understanding of the regulation of cancer disease and inflammatory responses after tissue injury through physical microenvironmental property sensing mechanisms. The recognized physical signals are transduced into biochemical signaling events that guide cellular responses, such as malignant tumor progression, after the transition of cancer cells from an epithelial to a mesenchymal phenotype or an inflammatory response due to tissue injury. Moreover, cell adaptation to mechanical alterations, in particular the understanding of mechano-coupling and mechano-regulating functions in cell invasion, appears as an important step in cancer progression and inflammatory response to injuries. This may lead to novel insights into cancer disease and inflammatory diseases and will overcome classical views on cancer and inflammation. In addition, this review will discuss how the physics of cancer and inflammation can help to reveal whether cancer cells will invade connective tissue and metastasize or how leukocytes extravasate and migrate through the tissue. In this review, the physical concepts of cancer progression, including the tissue basement membrane a cancer cell is crossing, its invasion and transendothelial migration as well as the basic physical concepts of inflammatory processes and the cellular responses to the mechanical stress of the microenvironment such as external forces and matrix stiffness, are presented and discussed. In conclusion, this review will finally show how physical measurements can improve classical approaches that investigate cancer and inflammatory diseases, and how these physical insights can be integrated into classical tumor biological approaches.

Theoretical Studies in Chemical Kinetics - Annual Report, 1970.

DOE R&D Accomplishments Database

Karplus, Martin

1970-10-01

The research performed includes (a) Alkali-Halide, Alkali-Halide (MX, M?X?) Exchange Reactions; (b) Inversion Problem; (c) Quantum Mechanics of Scattering Processes, (d) Transition State Analysis of Classical Trajectories, (e) Differential Cross Sections from Classical Trajectories; and (f) Other Studies.

Optical Coherency Matrix Tomography

DTIC Science & Technology

2015-10-19

multiple DoFs, such a treatment necessitates introducing the notion of ‘classical entanglement ’10,19–25. In quantum mechanics, states associated with...corresponding concept of classical entanglement indi- cates the non-separability of the beam into uncoupled DoFs. After the initial suggestion by Spreeuw19, a...substantial body of work has accumulated in the past five years in which classical entanglement is exploited in solving long-standing problems in

Classical ROS-dependent and early/rapid ROS-independent release of Neutrophil Extracellular Traps triggered by Leishmania parasites.

PubMed

Rochael, Natalia C; Guimarães-Costa, Anderson B; Nascimento, Michelle T C; DeSouza-Vieira, Thiago S; Oliveira, Matheus P; Garcia e Souza, Luiz F; Oliveira, Marcus F; Saraiva, Elvira M

2015-12-17

Neutrophil extracellular traps (NETs) extruded from neutrophils upon activation are composed of chromatin associated with cytosolic and granular proteins, which ensnare and kill microorganisms. This microbicidal mechanism named classical netosis has been shown to dependent on reactive oxygen species (ROS) generation by NADPH oxidase and also chromatin decondensation dependent upon the enzymes (PAD4), neutrophil elastase (NE) and myeloperoxidase (MPO). NET release also occurs through an early/rapid ROS-independent mechanism, named early/rapid vital netosis. Here we analyze the role of ROS, NE, MPO and PAD4 in the netosis stimulated by Leishmania amazonensis promastigotes in human neutrophils. We demonstrate that promastigotes induce a classical netosis, dependent on the cellular redox imbalance, as well as by a chloroamidine sensitive and elastase activity mechanism. Additionally, Leishmania also induces the early/rapid NET release occurring only 10 minutes after neutrophil-parasite interaction. We demonstrate here, that this early/rapid mechanism is dependent on elastase activity, but independent of ROS generation and chloroamidine. A better understanding of both mechanisms of NET release, and the NETs effects on the host immune system modulation, could support the development of new potential therapeutic strategies for leishmaniasis.

Generalized centripetal force law and quantization of motion constrained on 2D surfaces

NASA Astrophysics Data System (ADS)

Liu, Q. H.; Zhang, J.; Lian, D. K.; Hu, L. D.; Li, Z.

2017-03-01

For a particle of mass μ moves on a 2D surface f(x) = 0 embedded in 3D Euclidean space of coordinates x, there is an open and controversial problem whether the Dirac's canonical quantization scheme for the constrained motion allows for the geometric potential that has been experimentally confirmed. We note that the Dirac's scheme hypothesizes that the symmetries indicated by classical brackets among positions x and momenta p and Hamiltonian Hc remain in quantum mechanics, i.e., the following Dirac brackets [ x ,Hc ] D and [ p ,Hc ] D holds true after quantization, in addition to the fundamental ones [ x , x ] D, [ x , p ] D and [ p , p ] D. This set of hypotheses implies that the Hamiltonian operator is simultaneously determined during the quantization. The quantum mechanical relations corresponding to the classical mechanical ones p / μ =[ x ,Hc ] D directly give the geometric momenta. The time t derivative of the momenta p ˙ =[ p ,Hc ] D in classical mechanics is in fact the generalized centripetal force law for particle on the 2D surface, which in quantum mechanics permits both the geometric momenta and the geometric potential.

An investigation of student understanding of classical ideas related to quantum mechanics: Potential energy diagrams and spatial probability density

NASA Astrophysics Data System (ADS)

Stephanik, Brian Michael

This dissertation describes the results of two related investigations into introductory student understanding of ideas from classical physics that are key elements of quantum mechanics. One investigation probes the extent to which students are able to interpret and apply potential energy diagrams (i.e., graphs of potential energy versus position). The other probes the extent to which students are able to reason classically about probability and spatial probability density. The results of these investigations revealed significant conceptual and reasoning difficulties that students encounter with these topics. The findings guided the design of instructional materials to address the major problems. Results from post-instructional assessments are presented that illustrate the impact of the curricula on student learning.

[Conditioning mechanisms and psychoneuroimmunology].

PubMed

Stockhorst, Ursula; Klosterhalfen, Sibylle

2005-01-01

This chapter deals with the role of conditioning principles in psychoneuroimmunology (PNI). We will first describe the paradigms of classical and instrumental conditioning and classify immune parameters that are subject to conditioning (chapter 1). So far, PNI research mainly uses classical (or Pavlovian) conditioning. We will summarize some of the paradigmatic studies, mainly animal studies (chapter 2) and also describe studies that support the clinical relevance of classical conditioning, i. e., in the pharmacological treatment of autoimmune diseases, transplantation and tumor chemotherapy (chapter 3). A study of our group on anticipatory immunomodulation in pediatric cancer patients is reported. Mechanisms mediating conditioned immunomodulation are summarized (chapter 4). We also describe studies that analyze the impact of instrumental conditioning contingencies on immune functioning (chapter 5). Finally, research perspectives are summarized (chapter 6).

Quantum mechanics in noninertial reference frames: Violations of the nonrelativistic equivalence principle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Klink, W.H.; Wickramasekara, S., E-mail: wickrama@grinnell.edu; Department of Physics, Grinnell College, Grinnell, IA 50112

2014-01-15

In previous work we have developed a formulation of quantum mechanics in non-inertial reference frames. This formulation is grounded in a class of unitary cocycle representations of what we have called the Galilean line group, the generalization of the Galilei group that includes transformations amongst non-inertial reference frames. These representations show that in quantum mechanics, just as is the case in classical mechanics, the transformations to accelerating reference frames give rise to fictitious forces. A special feature of these previously constructed representations is that they all respect the non-relativistic equivalence principle, wherein the fictitious forces associated with linear acceleration canmore » equivalently be described by gravitational forces. In this paper we exhibit a large class of cocycle representations of the Galilean line group that violate the equivalence principle. Nevertheless the classical mechanics analogue of these cocycle representations all respect the equivalence principle. -- Highlights: •A formulation of Galilean quantum mechanics in non-inertial reference frames is given. •The key concept is the Galilean line group, an infinite dimensional group. •A large class of general cocycle representations of the Galilean line group is constructed. •These representations show violations of the equivalence principle at the quantum level. •At the classical limit, no violations of the equivalence principle are detected.« less

What is Quantum Mechanics? A Minimal Formulation

NASA Astrophysics Data System (ADS)

Friedberg, R.; Hohenberg, P. C.

2018-03-01

This paper presents a minimal formulation of nonrelativistic quantum mechanics, by which is meant a formulation which describes the theory in a succinct, self-contained, clear, unambiguous and of course correct manner. The bulk of the presentation is the so-called "microscopic theory", applicable to any closed system S of arbitrary size N, using concepts referring to S alone, without resort to external apparatus or external agents. An example of a similar minimal microscopic theory is the standard formulation of classical mechanics, which serves as the template for a minimal quantum theory. The only substantive assumption required is the replacement of the classical Euclidean phase space by Hilbert space in the quantum case, with the attendant all-important phenomenon of quantum incompatibility. Two fundamental theorems of Hilbert space, the Kochen-Specker-Bell theorem and Gleason's theorem, then lead inevitably to the well-known Born probability rule. For both classical and quantum mechanics, questions of physical implementation and experimental verification of the predictions of the theories are the domain of the macroscopic theory, which is argued to be a special case or application of the more general microscopic theory.

Philosophical perspectives on quantum chaos: Models and interpretations

NASA Astrophysics Data System (ADS)

Bokulich, Alisa Nicole

2001-09-01

The problem of quantum chaos is a special case of the larger problem of understanding how the classical world emerges from quantum mechanics. While we have learned that chaos is pervasive in classical systems, it appears to be almost entirely absent in quantum systems. The aim of this dissertation is to determine what implications the interpretation of quantum mechanics has for attempts to explain the emergence of classical chaos. There are three interpretations of quantum mechanics that have set out programs for solving the problem of quantum chaos: the standard interpretation, the statistical interpretation, and the deBroglie-Bohm causal interpretation. One of the main conclusions of this dissertation is that an interpretation alone is insufficient for solving the problem of quantum chaos and that the phenomenon of decoherence must be taken into account. Although a completely satisfactory solution of the problem of quantum chaos is still outstanding, I argue that the deBroglie-Bohm interpretation with the help of decoherence outlines the most promising research program to pursue. In addition to making a contribution to the debate in the philosophy of physics concerning the interpretation of quantum mechanics, this dissertation reveals two important methodological lessons for the philosophy of science. First, issues of reductionism and intertheoretic relations cannot be divorced from questions concerning the interpretation of the theories involved. Not only is the exploration of intertheoretic relations a central part of the articulation and interpretation of an individual theory, but the very terms used to discuss intertheoretic relations, such as `state' and `classical limit', are themselves defined by particular interpretations of the theory. The second lesson that emerges is that, when it comes to characterizing the relationship between classical chaos and quantum mechanics, the traditional approaches to intertheoretic relations, namely reductionism and theoretical pluralism, are inadequate. The fruitful ways in which models have been used in quantum chaos research point to the need for a new framework for addressing intertheoretic relations that focuses on models rather than laws.

[Mechanical suture in classic and laparoscopic general surgery].

PubMed

Alecu, L; Pascu, A; Deacu, A; Corodeanu, G; Marin, A; Costan, I

2000-01-01

Of this working is the study of employment the mechanical suture in general surgery classic and laparoscopic. We analysed the possibility of accomplishment and postoperatory evolution of 104 mechanical sutures performed in 24 patients, with diverse surgery pathology, operated in Department of General Surgery, between January 1999 and January 2000. Mechanical sutures allowed us to minimize the duration of surgical interventions and to perform some difficult anastomotic assembles (sometimes including creation of organ substitute). We had only two postoperatory fistulas and two postoperatory haemorrhages from anastomotic area (both cases because of bad closing of clips, through tissue excess between anvil and cartridge of the stapler). There are certain advantages in using mechanical sutures (versus manual sutures) consisting in decreasing of time period, both in operation itself and in hospitalization, despite their high level cost.

On the dynamical and geometrical symmetries of Keplerian motion

NASA Astrophysics Data System (ADS)

Wulfman, Carl E.

2009-05-01

The dynamical symmetries of classical, relativistic and quantum-mechanical Kepler systems are considered to arise from geometric symmetries in PQET phase space. To establish their interconnection, the symmetries are related with the aid of a Lie-algebraic extension of Dirac's correspondence principle, a canonical transformation containing a Cunningham-Bateman inversion, and a classical limit involving a preliminary canonical transformation in ET space. The Lie-algebraic extension establishes the conditions under which the uncertainty principle allows the local dynamical symmetry of a quantum-mechanical system to be the same as the geometrical phase-space symmetry of its classical counterpart. The canonical transformation converts Poincaré-invariant free-particle systems into ISO(3,1) invariant relativistic systems whose classical limit produces Keplerian systems. Locally Cartesian relativistic PQET coordinates are converted into a set of eight conjugate position and momentum coordinates whose classical limit contains Fock projective momentum coordinates and the components of Runge-Lenz vectors. The coordinate systems developed via the transformations are those in which the evolution and degeneracy groups of the classical system are generated by Poisson-bracket operators that produce ordinary rotation, translation and hyperbolic motions in phase space. The way in which these define classical Keplerian symmetries and symmetry coordinates is detailed. It is shown that for each value of the energy of a Keplerian system, the Poisson-bracket operators determine two invariant functions of positions and momenta, which together with its regularized Hamiltonian, define the manifold in six-dimensional phase space upon which motions evolve.

The Role of Folate Transport in Antifolate Drug Action in Trypanosoma brucei*

PubMed Central

Dewar, Simon; Sienkiewicz, Natasha; Ong, Han B.; Wall, Richard J.; Horn, David

2016-01-01

The aim of this study was to identify and characterize mechanisms of resistance to antifolate drugs in African trypanosomes. Genome-wide RNAi library screens were undertaken in bloodstream form Trypanosoma brucei exposed to the antifolates methotrexate and raltitrexed. In conjunction with drug susceptibility and folate transport studies, RNAi knockdown was used to validate the functions of the putative folate transporters. The transport kinetics of folate and methotrexate were further characterized in whole cells. RNA interference target sequencing experiments identified a tandem array of genes encoding a folate transporter family, TbFT1–3, as major contributors to antifolate drug uptake. RNAi knockdown of TbFT1–3 substantially reduced folate transport into trypanosomes and reduced the parasite's susceptibly to the classical antifolates methotrexate and raltitrexed. In contrast, knockdown of TbFT1–3 increased susceptibly to the non-classical antifolates pyrimethamine and nolatrexed. Both folate and methotrexate transport were inhibited by classical antifolates but not by non-classical antifolates or biopterin. Thus, TbFT1–3 mediates the uptake of folate and classical antifolates in trypanosomes, and TbFT1–3 loss-of-function is a mechanism of antifolate drug resistance. PMID:27703008

Constraints on Solar Wind Acceleration Mechanisms from Ulysses Plasma Observations: The First Polar Pass

NASA Technical Reports Server (NTRS)

Barnes, Aaron; Gazis, Paul R.; Phillips, John L.

1995-01-01

The mass flux density and velocity of the solar wind at polar latitudes can provide strong constraints on solar wind acceleration mechanisms. We use plasma observations from the first polar passage of the Ulysses spacecraft to investigate this question. We find that the mass flux density and velocity are too high to reconcile with acceleration of the solar wind by classical thermal conduction alone. Therefore acceleration of the high-speed must involve extended deposition of energy by some other mechanism, either as heat or as a direct effective pressure, due possibly to waves and/or turbulence, or completely non-classical heat transport.

From Newton to Einstein; Ask the physicist about mechanics and relativity

NASA Astrophysics Data System (ADS)

Baker, F. Todd

2014-12-01

Since 2006 the author has run a web site, WWW.AskThePhysicist.com, where he answers questions about physics. The site is not intended for answering highly technical questions; rather the purpose is to answer, with as little mathematics and formalism as possible, questions from intelligent and curious laypersons. This book is about classical mechanics. Usually `classical' calls to mind Newtonian mechanics and that is indeed where modern physics started. The bulk of the book is devoted to sections which will contain mainly categorized groups of Q&As from the web site, sort of a Best of Ask the Physicist.

Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.

PubMed

Sakurai, Atsunori; Tanimura, Yoshitaka

2011-04-28

To investigate the role of quantum effects in vibrational spectroscopies, we have carried out numerically exact calculations of linear and nonlinear response functions for an anharmonic potential system nonlinearly coupled to a harmonic oscillator bath. Although one cannot carry out the quantum calculations of the response functions with full molecular dynamics (MD) simulations for a realistic system which consists of many molecules, it is possible to grasp the essence of the quantum effects on the vibrational spectra by employing a model Hamiltonian that describes an intra- or intermolecular vibrational motion in a condensed phase. The present model fully includes vibrational relaxation, while the stochastic model often used to simulate infrared spectra does not. We have employed the reduced quantum hierarchy equations of motion approach in the Wigner space representation to deal with nonperturbative, non-Markovian, and nonsecular system-bath interactions. Taking the classical limit of the hierarchy equations of motion, we have obtained the classical equations of motion that describe the classical dynamics under the same physical conditions as in the quantum case. By comparing the classical and quantum mechanically calculated linear and multidimensional spectra, we found that the profiles of spectra for a fast modulation case were similar, but different for a slow modulation case. In both the classical and quantum cases, we identified the resonant oscillation peak in the spectra, but the quantum peak shifted to the red compared with the classical one if the potential is anharmonic. The prominent quantum effect is the 1-2 transition peak, which appears only in the quantum mechanically calculated spectra as a result of anharmonicity in the potential or nonlinearity of the system-bath coupling. While the contribution of the 1-2 transition is negligible in the fast modulation case, it becomes important in the slow modulation case as long as the amplitude of the frequency fluctuation is small. Thus, we observed a distinct difference between the classical and quantum mechanically calculated multidimensional spectra in the slow modulation case where spectral diffusion plays a role. This fact indicates that one may not reproduce the experimentally obtained multidimensional spectrum for high-frequency vibrational modes based on classical molecular dynamics simulations if the modulation that arises from surrounding molecules is weak and slow. A practical way to overcome the difference between the classical and quantum simulations was discussed.

New mechanism of spiral wave initiation in a reaction-diffusion-mechanics system.

PubMed

Weise, Louis D; Panfilov, Alexander V

2011-01-01

Spiral wave initiation in the heart muscle is a mechanism for the onset of dangerous cardiac arrhythmias. A standard protocol for spiral wave initiation is the application of a stimulus in the refractory tail of a propagating excitation wave, a region that we call the "classical vulnerable zone." Previous studies of vulnerability to spiral wave initiation did not take the influence of deformation into account, which has been shown to have a substantial effect on the excitation process of cardiomyocytes via the mechano-electrical feedback phenomenon. In this work we study the effect of deformation on the vulnerability of excitable media in a discrete reaction-diffusion-mechanics (dRDM) model. The dRDM model combines FitzHugh-Nagumo type equations for cardiac excitation with a discrete mechanical description of a finite-elastic isotropic material (Seth material) to model cardiac excitation-contraction coupling and stretch activated depolarizing current. We show that deformation alters the "classical," and forms a new vulnerable zone at longer coupling intervals. This mechanically caused vulnerable zone results in a new mechanism of spiral wave initiation, where unidirectional conduction block and rotation directions of the consequently initiated spiral waves are opposite compared to the mechanism of spiral wave initiation due to the "classical vulnerable zone." We show that this new mechanism of spiral wave initiation can naturally occur in situations that involve wave fronts with curvature, and discuss its relation to supernormal excitability of cardiac tissue. The concept of mechanically induced vulnerability may lead to a better understanding about the onset of dangerous heart arrhythmias via mechano-electrical feedback.

Teaching classical mechanics using smartphones

NASA Astrophysics Data System (ADS)

Chevrier, Joel; Madani, Laya; Ledenmat, Simon; Bsiesy, Ahmad

2013-09-01

A number of articles published in this column have dealt with topics in classical mechanics. This note describes some additional examples employing a smartphone and the new software iMecaProf.4 Steve Jobs presented the iPhone as "perfect for gaming."5 Thanks to its microsensors connected in real time to the numerical world, physics teachers could add that smartphones are "perfect for teaching science." The software iMecaProf displays in real time the measured data on a screen. The visual representation is built upon the formalism of classical mechanics. iMecaProf receives data 100 times a second from iPhone sensors through a Wi-Fi connection using the application Sensor Data.6 Data are the three components of the acceleration vector in the smartphone frame and smartphone's orientation through three angles (yaw, pitch, and roll). For circular motion (uniform or not), iMecaProf uses independent measurements of the rotation angle θ, the angular speed dθ/dt, and the angular acceleration d2θ/dt2.

Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism.

PubMed

Kudo, Shota; Caaveiro, Jose M M; Tsumoto, Kouhei

2016-09-06

Orderly assembly of classical cadherins governs cell adhesion and tissue maintenance. A key event is the strand-swap dimerization of the extracellular ectodomains of two cadherin molecules from apposing cells. Here we have determined crystal structures of P-cadherin in six different conformational states to elaborate a motion picture of its adhesive dimerization at the atomic level. The snapshots revealed that cell-adhesive dimerization is facilitated by several intermediate states collectively termed X-dimer in analogy to other classical cadherins. Based on previous studies and on the combined structural, kinetic, thermodynamic, biochemical, and cellular data reported herein, we propose that the adhesive dimerization of human P-cadherin is achieved by a stepwise mechanism analogous to that of assembly chaperones. This mechanism, applicable to type I classical cadherins, confers high specificity and fast association rates. We expect these findings to guide innovative therapeutic approaches targeting P-cadherin in cancer. Copyright © 2016 Elsevier Ltd. All rights reserved.

The Classic: On Rest and Pain: Lecture XIV.

PubMed

Hilton, John

2009-09-01

This Classic article is a reprint of the original work by John Hilton, On Rest and Pain: Lecture XIV. An accompanying biographical sketch on John Hilton, MD, is available at DOI 10.1007/s11999-009-0927-2 . The Classic Article is reprinted with courtesy from Hilton J. On The Influence of Mechanical and Physiological Rest in the Treatment of Accidents and Surgical Diseases, and the Diagnostic Value of Pain. London, England: Bell and Daldy; 1863.

Unbiased estimators for spatial distribution functions of classical fluids

NASA Astrophysics Data System (ADS)

Adib, Artur B.; Jarzynski, Christopher

2005-01-01

We use a statistical-mechanical identity closely related to the familiar virial theorem, to derive unbiased estimators for spatial distribution functions of classical fluids. In particular, we obtain estimators for both the fluid density ρ(r) in the vicinity of a fixed solute and the pair correlation g(r) of a homogeneous classical fluid. We illustrate the utility of our estimators with numerical examples, which reveal advantages over traditional histogram-based methods of computing such distributions.

The classical limit of minimal length uncertainty relation: revisit with the Hamilton-Jacobi method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Xiaobo; Wang, Peng; Yang, Haitang, E-mail: guoxiaobo@swust.edu.cn, E-mail: pengw@scu.edu.cn, E-mail: hyanga@scu.edu.cn

2016-05-01

The existence of a minimum measurable length could deform not only the standard quantum mechanics but also classical physics. The effects of the minimal length on classical orbits of particles in a gravitation field have been investigated before, using the deformed Poisson bracket or Schwarzschild metric. In this paper, we first use the Hamilton-Jacobi method to derive the deformed equations of motion in the context of Newtonian mechanics and general relativity. We then employ them to study the precession of planetary orbits, deflection of light, and time delay in radar propagation. We also set limits on the deformation parameter bymore » comparing our results with the observational measurements. Finally, comparison with results from previous papers is given at the end of this paper.« less

Effects of Noise-Induced Coherence on the Performance of Quantum Absorption Refrigerators

NASA Astrophysics Data System (ADS)

Holubec, Viktor; Novotný, Tomáš

2018-05-01

We study two models of quantum absorption refrigerators with the main focus on discerning the role of noise-induced coherence on their thermodynamic performance. Analogously to the previous studies on quantum heat engines, we find the increase in the cooling power due to the mechanism of noise-induced coherence. We formulate conditions imposed on the microscopic parameters of the models under which they can be equivalently described by classical stochastic processes and compare the performance of the two classes of fridges (effectively classical vs. truly quantum). We find that the enhanced performance is observed already for the effectively classical systems, with no significant qualitative change in the quantum cases, which suggests that the noise-induced-coherence-enhancement mechanism is caused by static interference phenomena.

Mixed semiclassical-classical propagators for the Wigner phase space representation

NASA Astrophysics Data System (ADS)

Koda, Shin-ichi

2016-04-01

We formulate mixed semiclassical-classical (SC-Cl) propagators by adding a further approximation to the phase-space SC propagators, which have been formulated in our previous paper [S. Koda, J. Chem. Phys. 143, 244110 (2015)]. We first show that the stationary phase approximation over the operation of the phase-space van Vleck propagator on initial distribution functions results in the classical mechanical time propagation. Then, after dividing the degrees of freedom (DOFs) of the total system into the semiclassical DOFs and the classical DOFs, the SC-Cl van Vleck propagator and the SC-Cl Herman-Kluk (HK) propagator are derived by performing the stationary phase approximation only with respect to the classical DOFs. These SC-Cl propagators are naturally decomposed to products of the phase-space SC propagators and the classical mechanical propagators when the system does not have any interaction between the semiclassical and the classical DOFs. In addition, we also numerically compare the original phase-space HK (full HK) propagator and the SC-Cl HK propagator in terms of accuracy and efficiency to find that the accuracy of the SC-Cl HK propagator can be comparable to that of the full HK propagator although the latter is more accurate than the former in general. On the other hand, we confirm that the convergence speed of the SC-Cl HK propagator is faster than that of the full HK propagator. The present numerical tests indicate that the SC-Cl HK propagator can be more accurate than the full HK propagator when they use a same and finite number of classical trajectories due to the balance of the accuracy and the efficiency.

Mixed semiclassical-classical propagators for the Wigner phase space representation.

PubMed

Koda, Shin-Ichi

2016-04-21

We formulate mixed semiclassical-classical (SC-Cl) propagators by adding a further approximation to the phase-space SC propagators, which have been formulated in our previous paper [S. Koda, J. Chem. Phys. 143, 244110 (2015)]. We first show that the stationary phase approximation over the operation of the phase-space van Vleck propagator on initial distribution functions results in the classical mechanical time propagation. Then, after dividing the degrees of freedom (DOFs) of the total system into the semiclassical DOFs and the classical DOFs, the SC-Cl van Vleck propagator and the SC-Cl Herman-Kluk (HK) propagator are derived by performing the stationary phase approximation only with respect to the classical DOFs. These SC-Cl propagators are naturally decomposed to products of the phase-space SC propagators and the classical mechanical propagators when the system does not have any interaction between the semiclassical and the classical DOFs. In addition, we also numerically compare the original phase-space HK (full HK) propagator and the SC-Cl HK propagator in terms of accuracy and efficiency to find that the accuracy of the SC-Cl HK propagator can be comparable to that of the full HK propagator although the latter is more accurate than the former in general. On the other hand, we confirm that the convergence speed of the SC-Cl HK propagator is faster than that of the full HK propagator. The present numerical tests indicate that the SC-Cl HK propagator can be more accurate than the full HK propagator when they use a same and finite number of classical trajectories due to the balance of the accuracy and the efficiency.

Bond breaking in epoxy systems: A combined QM/MM approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barr, Stephen A.; Ecker, Allison M.; Berry, Rajiv J., E-mail: Rajiv.Berry@us.af.mil

2016-06-28

A novel method to combine quantum mechanics (QM) and molecular mechanics has been developed to accurately and efficiently account for covalent bond breaking in polymer systems under high strain without the use of predetermined break locations. Use of this method will provide a better fundamental understanding of the mechano-chemical origins of fracture in thermosets. Since classical force fields cannot accurately account for bond breaking, and QM is too demanding to simulate large systems, a hybrid approach is required. In the method presented here, strain is applied to the system using a classical force field, and all bond lengths are monitored.more » When a bond is stretched past a threshold value, a zone surrounding the bond is used in a QM energy minimization to determine which, if any, bonds break. The QM results are then used to reconstitute the system to continue the classical simulation at progressively larger strain until another QM calculation is triggered. In this way, a QM calculation is only computed when and where needed, allowing for efficient simulations. A robust QM method for energy minimization has been determined, as well as appropriate values for the QM zone size and the threshold bond length. Compute times do not differ dramatically from classical molecular mechanical simulations.« less

Insight into the Mechanism of Hydrolysis of Meropenem by OXA-23 Serine-β-lactamase Gained by Quantum Mechanics/Molecular Mechanics Calculations.

PubMed

Sgrignani, Jacopo; Grazioso, Giovanni; De Amici, Marco

2016-09-13

The fast and constant development of drug resistant bacteria represents a serious medical emergency. To overcome this problem, the development of drugs with new structures and modes of action is urgently needed. In this work, we investigated, at the atomistic level, the mechanisms of hydrolysis of Meropenem by OXA-23, a class D β-lactamase, combining unbiased classical molecular dynamics and umbrella sampling simulations with classical force field-based and quantum mechanics/molecular mechanics potentials. Our calculations provide a detailed structural and dynamic picture of the molecular steps leading to the formation of the Meropenem-OXA-23 covalent adduct, the subsequent hydrolysis, and the final release of the inactive antibiotic. In this mechanistic framework, the predicted activation energy is in good agreement with experimental kinetic measurements, validating the expected reaction path.

Quantum mechanical streamlines. I - Square potential barrier

NASA Technical Reports Server (NTRS)

Hirschfelder, J. O.; Christoph, A. C.; Palke, W. E.

1974-01-01

Exact numerical calculations are made for scattering of quantum mechanical particles hitting a square two-dimensional potential barrier (an exact analog of the Goos-Haenchen optical experiments). Quantum mechanical streamlines are plotted and found to be smooth and continuous, to have continuous first derivatives even through the classical forbidden region, and to form quantized vortices around each of the nodal points. A comparison is made between the present numerical calculations and the stationary wave approximation, and good agreement is found between both the Goos-Haenchen shifts and the reflection coefficients. The time-independent Schroedinger equation for real wavefunctions is reduced to solving a nonlinear first-order partial differential equation, leading to a generalization of the Prager-Hirschfelder perturbation scheme. Implications of the hydrodynamical formulation of quantum mechanics are discussed, and cases are cited where quantum and classical mechanical motions are identical.

JOURNAL SCOPE GUIDELINES: Paper classification scheme

NASA Astrophysics Data System (ADS)

2005-06-01

This scheme is used to clarify the journal's scope and enable authors and readers to more easily locate the appropriate section for their work. For each of the sections listed in the scope statement we suggest some more detailed subject areas which help define that subject area. These lists are by no means exhaustive and are intended only as a guide to the type of papers we envisage appearing in each section. We acknowledge that no classification scheme can be perfect and that there are some papers which might be placed in more than one section. We are happy to provide further advice on paper classification to authors upon request (please email jphysa@iop.org). 1. Statistical physics numerical and computational methods statistical mechanics, phase transitions and critical phenomena quantum condensed matter theory Bose-Einstein condensation strongly correlated electron systems exactly solvable models in statistical mechanics lattice models, random walks and combinatorics field-theoretical models in statistical mechanics disordered systems, spin glasses and neural networks nonequilibrium systems network theory 2. Chaotic and complex systems nonlinear dynamics and classical chaos fractals and multifractals quantum chaos classical and quantum transport cellular automata granular systems and self-organization pattern formation biophysical models 3. Mathematical physics combinatorics algebraic structures and number theory matrix theory classical and quantum groups, symmetry and representation theory Lie algebras, special functions and orthogonal polynomials ordinary and partial differential equations difference and functional equations integrable systems soliton theory functional analysis and operator theory inverse problems geometry, differential geometry and topology numerical approximation and analysis geometric integration computational methods 4. Quantum mechanics and quantum information theory coherent states eigenvalue problems supersymmetric quantum mechanics scattering theory relativistic quantum mechanics semiclassical approximations foundations of quantum mechanics and measurement theory entanglement and quantum nonlocality geometric phases and quantum tomography quantum tunnelling decoherence and open systems quantum cryptography, communication and computation theoretical quantum optics 5. Classical and quantum field theory quantum field theory gauge and conformal field theory quantum electrodynamics and quantum chromodynamics Casimir effect integrable field theory random matrix theory applications in field theory string theory and its developments classical field theory and electromagnetism metamaterials 6. Fluid and plasma theory turbulence fundamental plasma physics kinetic theory magnetohydrodynamics and multifluid descriptions strongly coupled plasmas one-component plasmas non-neutral plasmas astrophysical and dusty plasmas

Random walk in generalized quantum theory

NASA Astrophysics Data System (ADS)

Martin, Xavier; O'Connor, Denjoe; Sorkin, Rafael D.

2005-01-01

One can view quantum mechanics as a generalization of classical probability theory that provides for pairwise interference among alternatives. Adopting this perspective, we “quantize” the classical random walk by finding, subject to a certain condition of “strong positivity”, the most general Markovian, translationally invariant “decoherence functional” with nearest neighbor transitions.

Why physics needs mathematics

NASA Astrophysics Data System (ADS)

Rohrlich, Fritz

2011-12-01

Classical and the quantum mechanical sciences are in essential need of mathematics. Only thus can the laws of nature be formulated quantitatively permitting quantitative predictions. Mathematics also facilitates extrapolations. But classical and quantum sciences differ in essential ways: they follow different laws of logic, Aristotelian and non-Aristotelian logics, respectively. These are explicated.

Quantum probabilistic logic programming

NASA Astrophysics Data System (ADS)

Balu, Radhakrishnan

2015-05-01

We describe a quantum mechanics based logic programming language that supports Horn clauses, random variables, and covariance matrices to express and solve problems in probabilistic logic. The Horn clauses of the language wrap random variables, including infinite valued, to express probability distributions and statistical correlations, a powerful feature to capture relationship between distributions that are not independent. The expressive power of the language is based on a mechanism to implement statistical ensembles and to solve the underlying SAT instances using quantum mechanical machinery. We exploit the fact that classical random variables have quantum decompositions to build the Horn clauses. We establish the semantics of the language in a rigorous fashion by considering an existing probabilistic logic language called PRISM with classical probability measures defined on the Herbrand base and extending it to the quantum context. In the classical case H-interpretations form the sample space and probability measures defined on them lead to consistent definition of probabilities for well formed formulae. In the quantum counterpart, we define probability amplitudes on Hinterpretations facilitating the model generations and verifications via quantum mechanical superpositions and entanglements. We cast the well formed formulae of the language as quantum mechanical observables thus providing an elegant interpretation for their probabilities. We discuss several examples to combine statistical ensembles and predicates of first order logic to reason with situations involving uncertainty.

A reformulation of mechanics and electrodynamics.

PubMed

Pinheiro, Mario J

2017-07-01

Classical mechanics, as commonly taught in engineering and science, are confined to the conventional Newtonian theory. But classical mechanics has not really changed in substance since Newton formulation, describing simultaneous rotation and translation of objects with somewhat complicate drawbacks, risking interpretation of forces in non-inertial frames. In this work we introduce a new variational principle for out-of-equilibrium, rotating systems, obtaining a set of two first order differential equations that introduces a thermodynamic-mechanistic time into Newton's dynamical equation, and revealing the same formal symplectic structure shared by classical mechanics, fluid mechanics and thermodynamics. The results is a more consistent formulation of dynamics and electrodynamics, explaining natural phenomena as the outcome from a balance between energy and entropy, embedding translational with rotational motion into a single equation, showing centrifugal and Coriolis force as derivatives from the transport of angular momentum, and offering a natural method to handle variational problems, as shown with the brachistochrone problem. In consequence, a new force term appears, the topological torsion current, important for spacecraft dynamics. We describe a set of solved problems showing the potential of a competing technique, with significant interest to electrodynamics as well. We expect this new approach to have impact in a large class of scientific and technological problems.

Classical dynamics on curved Snyder space

NASA Astrophysics Data System (ADS)

Ivetić, B.; Meljanac, S.; Mignemi, S.

2014-05-01

We study the classical dynamics of a particle in nonrelativistic Snyder-de Sitter space. We show that for spherically symmetric systems, parameterizing the solutions in terms of an auxiliary time variable, which is a function only of the physical time and of the energy and angular momentum of the particles, one can reduce the problem to the equivalent one in classical mechanics. We also discuss a relativistic extension of these results, and a generalization to the case in which the algebra is realized in flat space.

Estrogen receptor 1 modulates circadian rhythms in adult female mice.

PubMed

Blattner, Margaret S; Mahoney, Megan M

2014-06-01

Estradiol influences the level and distribution of daily activity, the duration of the free-running period, and the behavioral phase response to light pulses. However, the mechanisms by which estradiol regulates daily and circadian rhythms are not fully understood. We tested the hypothesis that estrogens modulate daily activity patterns via both classical and "non-classical" actions at the estrogen receptor subtype 1 (ESR1). We used female transgenic mice with mutations in their estrogen response pathways; ESR1 knock-out (ERKO) mice and "non-classical" estrogen receptor knock-in (NERKI) mice. NERKI mice have an ESR1 receptor with a mutation in the estrogen-response-element binding domain, allowing only actions via "non-classical" genomic and second messenger pathways. Ovariectomized female NERKI, ERKO, and wildtype (WT) mice were given a subcutaneous capsule with low- or high-dose estradiol and compared with counterparts with no hormone replacement. We measured wheel-running activity in a light:dark cycle and constant darkness, and the behavioral phase response to light pulses given at different points during the subjective day and night. Estradiol increased average daily wheel-running, consolidated activity to the dark phase, and shortened the endogenous period in WT, but not NERKI and ERKO mice. The timing of activity onset during entrainment was advanced in all estradiol-treated animals regardless of genotype suggesting an ESR1-independent mechanism. We propose that estradiol modifies period, activity level, and distribution of activity via classical actions of ESR1 whereas an ESR1 independent mechanism regulates the phase of rhythms.

Quantum Mechanical Earth: Where Orbitals Become Orbits

ERIC Educational Resources Information Center

Keeports, David

2012-01-01

Macroscopic objects, although quantum mechanical by nature, conform to Newtonian mechanics under normal observation. According to the quantum mechanical correspondence principle, quantum behavior is indistinguishable from classical behavior in the limit of very large quantum numbers. The purpose of this paper is to provide an example of the…

Equivalence between contextuality and negativity of the Wigner function for qudits

NASA Astrophysics Data System (ADS)

Delfosse, Nicolas; Okay, Cihan; Bermejo-Vega, Juan; Browne, Dan E.; Raussendorf, Robert

2017-12-01

Understanding what distinguishes quantum mechanics from classical mechanics is crucial for quantum information processing applications. In this work, we consider two notions of non-classicality for quantum systems, negativity of the Wigner function and contextuality for Pauli measurements. We prove that these two notions are equivalent for multi-qudit systems with odd local dimension. For a single qudit, the equivalence breaks down. We show that there exist single qudit states that admit a non-contextual hidden variable model description and whose Wigner functions are negative.

'Quantum interference with slits' revisited

NASA Astrophysics Data System (ADS)

Rothman, Tony; Boughn, Stephen

2011-01-01

Marcella has presented a straightforward technique employing the Dirac formalism to calculate single- and double-slit interference patterns. He claims that no reference is made to classical optics or scattering theory and that his method therefore provides a purely quantum mechanical description of these experiments. He also presents his calculation as if no approximations are employed. We show that he implicitly makes the same approximations found in classical treatments of interference and that no new physics has been introduced. At the same time, some of the quantum mechanical arguments Marcella gives are, at best, misleading.

Quantum-mechanical transport equation for atomic systems.

NASA Technical Reports Server (NTRS)

Berman, P. R.

1972-01-01

A quantum-mechanical transport equation (QMTE) is derived which should be applicable to a wide range of problems involving the interaction of radiation with atoms or molecules which are also subject to collisions with perturber atoms. The equation follows the time evolution of the macroscopic atomic density matrix elements of atoms located at classical position R and moving with classical velocity v. It is quantum mechanical in the sense that all collision kernels or rates which appear have been obtained from a quantum-mechanical theory and, as such, properly take into account the energy-level variations and velocity changes of the active (emitting or absorbing) atom produced in collisions with perturber atoms. The present formulation is better suited to problems involving high-intensity external fields, such as those encountered in laser physics.

Teaching Quantum Mechanics on an Introductory Level.

ERIC Educational Resources Information Center

Muller, Rainer; Wiesner, Hartmut

2002-01-01

Presents a new research-based course on quantum mechanics in which the conceptual issues of quantum mechanics are taught at an introductory level. Involves students in the discovery of how quantum phenomena deviate from classical everyday experiences. (Contains 31 references.) (Author/YDS)

Molecular dynamics simulations of classical sound absorption in a monatomic gas

NASA Astrophysics Data System (ADS)

Ayub, M.; Zander, A. C.; Huang, D. M.; Cazzolato, B. S.; Howard, C. Q.

2018-05-01

Sound wave propagation in argon gas is simulated using molecular dynamics (MD) in order to determine the attenuation of acoustic energy due to classical (viscous and thermal) losses at high frequencies. In addition, a method is described to estimate attenuation of acoustic energy using the thermodynamic concept of exergy. The results are compared against standing wave theory and the predictions of the theory of continuum mechanics. Acoustic energy losses are studied by evaluating various attenuation parameters and by comparing the changes in behavior at three different frequencies. This study demonstrates acoustic absorption effects in a gas simulated in a thermostatted molecular simulation and quantifies the classical losses in terms of the sound attenuation constant. The approach can be extended to further understanding of acoustic loss mechanisms in the presence of nanoscale porous materials in the simulation domain.

The Wigner distribution and 2D classical maps

NASA Astrophysics Data System (ADS)

Sakhr, Jamal

2017-07-01

The Wigner spacing distribution has a long and illustrious history in nuclear physics and in the quantum mechanics of classically chaotic systems. In this paper, a novel connection between the Wigner distribution and 2D classical mechanics is introduced. Based on a well-known correspondence between the Wigner distribution and the 2D Poisson point process, the hypothesis that typical pseudo-trajectories of a 2D ergodic map have a Wignerian nearest-neighbor spacing distribution (NNSD) is put forward and numerically tested. The standard Euclidean metric is used to compute the interpoint spacings. In all test cases, the hypothesis is upheld, and the range of validity of the hypothesis appears to be robust in the sense that it is not affected by the presence or absence of: (i) mixing; (ii) time-reversal symmetry; and/or (iii) dissipation.

Mixed QM/MM molecular electrostatic potentials.

PubMed

Hernández, B; Luque, F J; Orozco, M

2000-05-01

A new method is presented for the calculation of the Molecular Electrostatic Potential (MEP) in large systems. Based on the mixed Quantum Mechanics/Molecular Mechanics (QM/MM) approach, the method assumes both a quantum and classical description for the molecule, and the calculation of the MEP in the space surrounding the molecule is made using this dual treatment. The MEP at points close to the molecule is computed using a full QM formalism, while a pure classical evaluation of the MEP is used for points located at large distances from the molecule. The algorithm allows the user to select the desired level of accuracy in the MEP, so that the definition of the regions where the MEP is computed at the classical or QM levels is adjusted automatically. The potential use of this QM/MM MEP in molecular modeling studies is discussed.

Theory of Neutron Chain Reactions: Extracts from Volume I, Diffusion and Slowing Down of Neutrons: Chapter I. Elementary Theory of Neutron Diffusion. Chapter II. Second Order Diffusion Theory. Chapter III. Slowing Down of Neutrons

DOE R&D Accomplishments Database

Weinberg, Alvin M.; Noderer, L. C.

1951-05-15

The large scale release of nuclear energy in a uranium fission chain reaction involves two essentially distinct physical phenomena. On the one hand there are the individual nuclear processes such as fission, neutron capture, and neutron scattering. These are essentially quantum mechanical in character, and their theory is non-classical. On the other hand, there is the process of diffusion -- in particular, diffusion of neutrons, which is of fundamental importance in a nuclear chain reaction. This process is classical; insofar as the theory of the nuclear chain reaction depends on the theory of neutron diffusion, the mathematical study of chain reactions is an application of classical, not quantum mechanical, techniques.

A Simple Derivation of Chemically Important Classical Observables and Superselection Rules.

ERIC Educational Resources Information Center

Muller-Herold, U.

1985-01-01

Explores the question "Why are so many stationary states allowed by traditional quantum mechanics not realized in nature?" through discussion of classical observables and superselection rules. Three examples are given that can be used in introductory courses (including the fermion/boson property and the mass of a "nonrelativistic" particle). (JN)

Modelling Systems of Classical/Quantum Identical Particles by Focusing on Algorithms

ERIC Educational Resources Information Center

Guastella, Ivan; Fazio, Claudio; Sperandeo-Mineo, Rosa Maria

2012-01-01

A procedure modelling ideal classical and quantum gases is discussed. The proposed approach is mainly based on the idea that modelling and algorithm analysis can provide a deeper understanding of particularly complex physical systems. Appropriate representations and physical models able to mimic possible pseudo-mechanisms of functioning and having…

Brachistochrones with Loose Ends

ERIC Educational Resources Information Center

Mertens, Stephan; Mingramm, Sebastian

2008-01-01

The classical problem of the brachistochrone asks for the curve down which a body sliding from rest and accelerated by gravity will slip (without friction) from one point to another in least time. In undergraduate courses on classical mechanics, the solution of this problem is the primary example of the power of variational calculus. Here, we…

Generalization of the Activated Complex Theory of Reaction Rates. II. Classical Mechanical Treatment

DOE R&D Accomplishments Database

Marcus, R. A.

1964-01-01

In its usual classical form activated complex theory assumes a particular expression for the kinetic energy of the reacting system -- one associated with a rectilinear motion along the reaction coordinate. The derivation of the rate expression given in the present paper is based on the general kinetic energy expression.

Quantum and quasi-classical collisional dynamics of O{sub 2}–Ar at high temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ulusoy, Inga S.; Center for Computational and Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400; Andrienko, Daniil A.

A hypersonic vehicle traveling at a high speed disrupts the distribution of internal states in the ambient flow and introduces a nonequilibrium distribution in the post-shock conditions. We investigate the vibrational relaxation in diatom-atom collisions in the range of temperatures between 1000 and 10 000 K by comparing results of extensive fully quantum-mechanical and quasi-classical simulations with available experimental data. The present paper simulates the interaction of molecular oxygen with argon as the first step in developing the aerothermodynamics models based on first principles. We devise a routine to standardize such calculations also for other scattering systems. Our results demonstrate verymore » good agreement of vibrational relaxation time, derived from quantum-mechanical calculations with the experimental measurements conducted in shock tube facilities. At the same time, the quasi-classical simulations fail to accurately predict rates of vibrationally inelastic transitions at temperatures lower than 3000 K. This observation and the computational cost of adopted methods suggest that the next generation of high fidelity thermochemical models should be a combination of quantum and quasi-classical approaches.« less

The need for data science in epidemic modelling. Comment on: "Mathematical models to characterize early epidemic growth: A review" by Gerardo Chowell et al.

NASA Astrophysics Data System (ADS)

Danon, Leon; Brooks-Pollock, Ellen

2016-09-01

In their review, Chowell et al. consider the ability of mathematical models to predict early epidemic growth [1]. In particular, they question the central prediction of classical differential equation models that the number of cases grows exponentially during the early stages of an epidemic. Using examples including HIV and Ebola, they argue that classical models fail to capture key qualitative features of early growth and describe a selection of models that do capture non-exponential epidemic growth. An implication of this failure is that predictions may be inaccurate and unusable, highlighting the need for care when embarking upon modelling using classical methodology. There remains a lack of understanding of the mechanisms driving many observed epidemic patterns; we argue that data science should form a fundamental component of epidemic modelling, providing a rigorous methodology for data-driven approaches, rather than trying to enforce established frameworks. The need for refinement of classical models provides a strong argument for the use of data science, to identify qualitative characteristics and pinpoint the mechanisms responsible for the observed epidemic patterns.

Quantum and quasi-classical collisional dynamics of O2-Ar at high temperatures

NASA Astrophysics Data System (ADS)

Ulusoy, Inga S.; Andrienko, Daniil A.; Boyd, Iain D.; Hernandez, Rigoberto

2016-06-01

A hypersonic vehicle traveling at a high speed disrupts the distribution of internal states in the ambient flow and introduces a nonequilibrium distribution in the post-shock conditions. We investigate the vibrational relaxation in diatom-atom collisions in the range of temperatures between 1000 and 10 000 K by comparing results of extensive fully quantum-mechanical and quasi-classical simulations with available experimental data. The present paper simulates the interaction of molecular oxygen with argon as the first step in developing the aerothermodynamics models based on first principles. We devise a routine to standardize such calculations also for other scattering systems. Our results demonstrate very good agreement of vibrational relaxation time, derived from quantum-mechanical calculations with the experimental measurements conducted in shock tube facilities. At the same time, the quasi-classical simulations fail to accurately predict rates of vibrationally inelastic transitions at temperatures lower than 3000 K. This observation and the computational cost of adopted methods suggest that the next generation of high fidelity thermochemical models should be a combination of quantum and quasi-classical approaches.

Dynamically biased statistical model for the ortho/para conversion in the H2 + H3+ → H3+ + H2 reaction.

PubMed

Gómez-Carrasco, Susana; González-Sánchez, Lola; Aguado, Alfredo; Sanz-Sanz, Cristina; Zanchet, Alexandre; Roncero, Octavio

2012-09-07

In this work we present a dynamically biased statistical model to describe the evolution of the title reaction from statistical to a more direct mechanism, using quasi-classical trajectories (QCT). The method is based on the one previously proposed by Park and Light [J. Chem. Phys. 126, 044305 (2007)]. A recent global potential energy surface is used here to calculate the capture probabilities, instead of the long-range ion-induced dipole interactions. The dynamical constraints are introduced by considering a scrambling matrix which depends on energy and determine the probability of the identity/hop/exchange mechanisms. These probabilities are calculated using QCT. It is found that the high zero-point energy of the fragments is transferred to the rest of the degrees of freedom, what shortens the lifetime of H(5)(+) complexes and, as a consequence, the exchange mechanism is produced with lower proportion. The zero-point energy (ZPE) is not properly described in quasi-classical trajectory calculations and an approximation is done in which the initial ZPE of the reactants is reduced in QCT calculations to obtain a new ZPE-biased scrambling matrix. This reduction of the ZPE is explained by the need of correcting the pure classical level number of the H(5)(+) complex, as done in classical simulations of unimolecular processes and to get equivalent quantum and classical rate constants using Rice-Ramsperger-Kassel-Marcus theory. This matrix allows to obtain a ratio of hop/exchange mechanisms, α(T), in rather good agreement with recent experimental results by Crabtree et al. [J. Chem. Phys. 134, 194311 (2011)] at room temperature. At lower temperatures, however, the present simulations predict too high ratios because the biased scrambling matrix is not statistical enough. This demonstrates the importance of applying quantum methods to simulate this reaction at the low temperatures of astrophysical interest.

Dynamically biased statistical model for the ortho/para conversion in the H2+H3+ --> H3++ H2 reaction

NASA Astrophysics Data System (ADS)

Gómez-Carrasco, Susana; González-Sánchez, Lola; Aguado, Alfredo; Sanz-Sanz, Cristina; Zanchet, Alexandre; Roncero, Octavio

2012-09-01

In this work we present a dynamically biased statistical model to describe the evolution of the title reaction from statistical to a more direct mechanism, using quasi-classical trajectories (QCT). The method is based on the one previously proposed by Park and Light [J. Chem. Phys. 126, 044305 (2007), 10.1063/1.2430711]. A recent global potential energy surface is used here to calculate the capture probabilities, instead of the long-range ion-induced dipole interactions. The dynamical constraints are introduced by considering a scrambling matrix which depends on energy and determine the probability of the identity/hop/exchange mechanisms. These probabilities are calculated using QCT. It is found that the high zero-point energy of the fragments is transferred to the rest of the degrees of freedom, what shortens the lifetime of H_5^+ complexes and, as a consequence, the exchange mechanism is produced with lower proportion. The zero-point energy (ZPE) is not properly described in quasi-classical trajectory calculations and an approximation is done in which the initial ZPE of the reactants is reduced in QCT calculations to obtain a new ZPE-biased scrambling matrix. This reduction of the ZPE is explained by the need of correcting the pure classical level number of the H_5^+ complex, as done in classical simulations of unimolecular processes and to get equivalent quantum and classical rate constants using Rice-Ramsperger-Kassel-Marcus theory. This matrix allows to obtain a ratio of hop/exchange mechanisms, α(T), in rather good agreement with recent experimental results by Crabtree et al. [J. Chem. Phys. 134, 194311 (2011), 10.1063/1.3587246] at room temperature. At lower temperatures, however, the present simulations predict too high ratios because the biased scrambling matrix is not statistical enough. This demonstrates the importance of applying quantum methods to simulate this reaction at the low temperatures of astrophysical interest.

Quantum Tic-Tac-Toe as Metaphor for Quantum Physics

NASA Astrophysics Data System (ADS)

Goff, Allan; Lehmann, Dale; Siegel, Joel

2004-02-01

Quantum Tic-Tac-Toe is presented as an abstract quantum system derived from the rules of Classical Tic-Tac-Toe. Abstract quantum systems can be constructed from classical systems by the addition of three types of rules; rules of Superposition, rules of Entanglement, and rules of Collapse. This is formally done for Quantum Tic-Tac-Toe. As a part of this construction it is shown that abstract quantum systems can be viewed as an ensemble of classical systems. That is, the state of a quantum game implies a set of simultaneous classical games. The number and evolution of the ensemble of classical games is driven by the superposition, entanglement, and collapse rules. Various aspects and play situations provide excellent metaphors for standard features of quantum mechanics. Several of the more significant metaphors are discussed, including a measurement mechanism, the correspondence principle, Everett's Many Worlds Hypothesis, an ascertainity principle, and spooky action at a distance. Abstract quantum systems also show the consistency of backwards-in-time causality, and the influence on the present of both pasts and futures that never happened. The strongest logical argument against faster-than-light (FTL) phenomena is that since FTL implies backwards-in-time causality, temporal paradox is an unavoidable consequence of FTL; hence FTL is impossible. Since abstract quantum systems support backwards-in-time causality but avoid temporal paradox through pruning of the classical ensemble, it may be that quantum based FTL schemes are possible allowing backwards-in-time causality, but prohibiting temporal paradox.

Classical molecular dynamics simulation of electronically non-adiabatic processes.

PubMed

Miller, William H; Cotton, Stephen J

2016-12-22

Both classical and quantum mechanics (as well as hybrids thereof, i.e., semiclassical approaches) find widespread use in simulating dynamical processes in molecular systems. For large chemical systems, however, which involve potential energy surfaces (PES) of general/arbitrary form, it is usually the case that only classical molecular dynamics (MD) approaches are feasible, and their use is thus ubiquitous nowadays, at least for chemical processes involving dynamics on a single PES (i.e., within a single Born-Oppenheimer electronic state). This paper reviews recent developments in an approach which extends standard classical MD methods to the treatment of electronically non-adiabatic processes, i.e., those that involve transitions between different electronic states. The approach treats nuclear and electronic degrees of freedom (DOF) equivalently (i.e., by classical mechanics, thereby retaining the simplicity of standard MD), and provides "quantization" of the electronic states through a symmetrical quasi-classical (SQC) windowing model. The approach is seen to be capable of treating extreme regimes of strong and weak coupling between the electronic states, as well as accurately describing coherence effects in the electronic DOF (including the de-coherence of such effects caused by coupling to the nuclear DOF). A survey of recent applications is presented to illustrate the performance of the approach. Also described is a newly developed variation on the original SQC model (found universally superior to the original) and a general extension of the SQC model to obtain the full electronic density matrix (at no additional cost/complexity).

Computational quantum-classical boundary of noisy commuting quantum circuits

PubMed Central

Fujii, Keisuke; Tamate, Shuhei

2016-01-01

It is often said that the transition from quantum to classical worlds is caused by decoherence originated from an interaction between a system of interest and its surrounding environment. Here we establish a computational quantum-classical boundary from the viewpoint of classical simulatability of a quantum system under decoherence. Specifically, we consider commuting quantum circuits being subject to decoherence. Or equivalently, we can regard them as measurement-based quantum computation on decohered weighted graph states. To show intractability of classical simulation in the quantum side, we utilize the postselection argument and crucially strengthen it by taking noise effect into account. Classical simulatability in the classical side is also shown constructively by using both separable criteria in a projected-entangled-pair-state picture and the Gottesman-Knill theorem for mixed state Clifford circuits. We found that when each qubit is subject to a single-qubit complete-positive-trace-preserving noise, the computational quantum-classical boundary is sharply given by the noise rate required for the distillability of a magic state. The obtained quantum-classical boundary of noisy quantum dynamics reveals a complexity landscape of controlled quantum systems. This paves a way to an experimentally feasible verification of quantum mechanics in a high complexity limit beyond classically simulatable region. PMID:27189039

Computational quantum-classical boundary of noisy commuting quantum circuits.

PubMed

Fujii, Keisuke; Tamate, Shuhei

2016-05-18

It is often said that the transition from quantum to classical worlds is caused by decoherence originated from an interaction between a system of interest and its surrounding environment. Here we establish a computational quantum-classical boundary from the viewpoint of classical simulatability of a quantum system under decoherence. Specifically, we consider commuting quantum circuits being subject to decoherence. Or equivalently, we can regard them as measurement-based quantum computation on decohered weighted graph states. To show intractability of classical simulation in the quantum side, we utilize the postselection argument and crucially strengthen it by taking noise effect into account. Classical simulatability in the classical side is also shown constructively by using both separable criteria in a projected-entangled-pair-state picture and the Gottesman-Knill theorem for mixed state Clifford circuits. We found that when each qubit is subject to a single-qubit complete-positive-trace-preserving noise, the computational quantum-classical boundary is sharply given by the noise rate required for the distillability of a magic state. The obtained quantum-classical boundary of noisy quantum dynamics reveals a complexity landscape of controlled quantum systems. This paves a way to an experimentally feasible verification of quantum mechanics in a high complexity limit beyond classically simulatable region.

Computational quantum-classical boundary of noisy commuting quantum circuits

NASA Astrophysics Data System (ADS)

Fujii, Keisuke; Tamate, Shuhei

2016-05-01

It is often said that the transition from quantum to classical worlds is caused by decoherence originated from an interaction between a system of interest and its surrounding environment. Here we establish a computational quantum-classical boundary from the viewpoint of classical simulatability of a quantum system under decoherence. Specifically, we consider commuting quantum circuits being subject to decoherence. Or equivalently, we can regard them as measurement-based quantum computation on decohered weighted graph states. To show intractability of classical simulation in the quantum side, we utilize the postselection argument and crucially strengthen it by taking noise effect into account. Classical simulatability in the classical side is also shown constructively by using both separable criteria in a projected-entangled-pair-state picture and the Gottesman-Knill theorem for mixed state Clifford circuits. We found that when each qubit is subject to a single-qubit complete-positive-trace-preserving noise, the computational quantum-classical boundary is sharply given by the noise rate required for the distillability of a magic state. The obtained quantum-classical boundary of noisy quantum dynamics reveals a complexity landscape of controlled quantum systems. This paves a way to an experimentally feasible verification of quantum mechanics in a high complexity limit beyond classically simulatable region.

Quantization and Quantum-Like Phenomena: A Number Amplitude Approach

NASA Astrophysics Data System (ADS)

Robinson, T. R.; Haven, E.

2015-12-01

Historically, quantization has meant turning the dynamical variables of classical mechanics that are represented by numbers into their corresponding operators. Thus the relationships between classical variables determine the relationships between the corresponding quantum mechanical operators. Here, we take a radically different approach to this conventional quantization procedure. Our approach does not rely on any relations based on classical Hamiltonian or Lagrangian mechanics nor on any canonical quantization relations, nor even on any preconceptions of particle trajectories in space and time. Instead we examine the symmetry properties of certain Hermitian operators with respect to phase changes. This introduces harmonic operators that can be identified with a variety of cyclic systems, from clocks to quantum fields. These operators are shown to have the characteristics of creation and annihilation operators that constitute the primitive fields of quantum field theory. Such an approach not only allows us to recover the Hamiltonian equations of classical mechanics and the Schrödinger wave equation from the fundamental quantization relations, but also, by freeing the quantum formalism from any physical connotation, makes it more directly applicable to non-physical, so-called quantum-like systems. Over the past decade or so, there has been a rapid growth of interest in such applications. These include, the use of the Schrödinger equation in finance, second quantization and the number operator in social interactions, population dynamics and financial trading, and quantum probability models in cognitive processes and decision-making. In this paper we try to look beyond physical analogies to provide a foundational underpinning of such applications.

Periodontitis promotes the diabetic development of obese rat via miR-147 induced classical macrophage activation.

PubMed

Xu, Ran; Zeng, Guang; Wang, Shuyong; Tao, Hong; Ren, Le; Zhang, Zhe; Zhang, Qingna; Zhao, Jinxiu; Gao, Jing; Li, Daxu

2016-10-01

Emerging evidence has indicated the bad effect of periodontal inflammation on diabetes control. However, the exact regulatory mechanisms within the association between periodontitis and diabetic development remain unclear. This study aims to investigate the function of microRNAs in regulating periodontitis-induced inflammation in an obese rat model. Experimental periodontitis was introduced into OLETF and LETO rat. Intraperitoneal glucose tolerance test was performed to detect diabetic development. Serum cytokines levels and microRNAs expression were detected by ELISA and RT-PCR analysis respectively. And, macrophages were isolated for gain- and loss-of-function studies, to investigate the regulatory mechanism of miR-147 in periodontitis-induced inflammation. Periodontitis induced proinflammatory response with classical activated macrophages in both rats, but distinctively aggravated the impaired glucose tolerance of OLETF rat with spontaneous type 2 diabetes. Analysis for serum microRNAs expression showed the distinctive and synergistic upregulation of miR-147 with periodontitis-induced effects in rats, while further experiments demonstrated the positive regulatory mechanism of miR-147 on classical activated macrophages with overexpressed proinflammatory markers, showing M1 phenotype. This study provided new evidence for the positive effect of periodontal inflammation on diabetic development, while the regulatory mechanism of miR-147 on classical macrophage activation, was verified, and presumed to contribute to the impaired glucose tolerance aggravated by periodontitis in obese rats. Besides, this study indicated the application of miR-147 for therapeutic approach in the treatment of diabetes with periodontitis. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

InGaAs tunnel diodes for the calibration of semi-classical and quantum mechanical band-to-band tunneling models

NASA Astrophysics Data System (ADS)

Smets, Quentin; Verreck, Devin; Verhulst, Anne S.; Rooyackers, Rita; Merckling, Clément; Van De Put, Maarten; Simoen, Eddy; Vandervorst, Wilfried; Collaert, Nadine; Thean, Voon Y.; Sorée, Bart; Groeseneken, Guido; Heyns, Marc M.

2014-05-01

Promising predictions are made for III-V tunnel-field-effect transistor (FET), but there is still uncertainty on the parameters used in the band-to-band tunneling models. Therefore, two simulators are calibrated in this paper; the first one uses a semi-classical tunneling model based on Kane's formalism, and the second one is a quantum mechanical simulator implemented with an envelope function formalism. The calibration is done for In0.53Ga0.47As using several p+/intrinsic/n+ diodes with different intrinsic region thicknesses. The dopant profile is determined by SIMS and capacitance-voltage measurements. Error bars are used based on statistical and systematic uncertainties in the measurement techniques. The obtained parameters are in close agreement with theoretically predicted values and validate the semi-classical and quantum mechanical models. Finally, the models are applied to predict the input characteristics of In0.53Ga0.47As n- and p-lineTFET, with the n-lineTFET showing competitive performance compared to MOSFET.

Time-dependent variational approach in terms of squeezed coherent states: Implication to semi-classical approximation

NASA Technical Reports Server (NTRS)

Tsue, Yasuhiko

1994-01-01

A general framework for time-dependent variational approach in terms of squeezed coherent states is constructed with the aim of describing quantal systems by means of classical mechanics including higher order quantal effects with the aid of canonicity conditions developed in the time-dependent Hartree-Fock theory. The Maslov phase occurring in a semi-classical quantization rule is investigated in this framework. In the limit of a semi-classical approximation in this approach, it is definitely shown that the Maslov phase has a geometric nature analogous to the Berry phase. It is also indicated that this squeezed coherent state approach is a possible way to go beyond the usual WKB approximation.

Hamiltonian structure of classical N-body systems of finite-size particles subject to EM interactions

NASA Astrophysics Data System (ADS)

Cremaschini, C.; Tessarotto, M.

2012-01-01

An open issue in classical relativistic mechanics is the consistent treatment of the dynamics of classical N-body systems of mutually interacting particles. This refers, in particular, to charged particles subject to EM interactions, including both binary interactions and self-interactions ( EM-interacting N- body systems). The correct solution to the question represents an overriding prerequisite for the consistency between classical and quantum mechanics. In this paper it is shown that such a description can be consistently obtained in the context of classical electrodynamics, for the case of a N-body system of classical finite-size charged particles. A variational formulation of the problem is presented, based on the N -body hybrid synchronous Hamilton variational principle. Covariant Lagrangian and Hamiltonian equations of motion for the dynamics of the interacting N-body system are derived, which are proved to be delay-type ODEs. Then, a representation in both standard Lagrangian and Hamiltonian forms is proved to hold, the latter expressed by means of classical Poisson Brackets. The theory developed retains both the covariance with respect to the Lorentz group and the exact Hamiltonian structure of the problem, which is shown to be intrinsically non-local. Different applications of the theory are investigated. The first one concerns the development of a suitable Hamiltonian approximation of the exact equations that retains finite delay-time effects characteristic of the binary interactions and self-EM-interactions. Second, basic consequences concerning the validity of Dirac generator formalism are pointed out, with particular reference to the instant-form representation of Poincaré generators. Finally, a discussion is presented both on the validity and possible extension of the Dirac generator formalism as well as the failure of the so-called Currie "no-interaction" theorem for the non-local Hamiltonian system considered here.

Information transmission in microbial and fungal communication: from classical to quantum.

PubMed

Majumdar, Sarangam; Pal, Sukla

2018-06-01

Microbes have their own communication systems. Secretion and reception of chemical signaling molecules and ion-channels mediated electrical signaling mechanism are yet observed two special ways of information transmission in microbial community. In this article, we address the aspects of various crucial machineries which set the backbone of microbial cell-to-cell communication process such as quorum sensing mechanism (bacterial and fungal), quorum sensing regulated biofilm formation, gene expression, virulence, swarming, quorum quenching, role of noise in quorum sensing, mathematical models (therapy model, evolutionary model, molecular mechanism model and many more), synthetic bacterial communication, bacterial ion-channels, bacterial nanowires and electrical communication. In particular, we highlight bacterial collective behavior with classical and quantum mechanical approaches (including quantum information). Moreover, we shed a new light to introduce the concept of quantum synthetic biology and possible cellular quantum Turing test.

Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.

PubMed

Gao, Jiali; Major, Dan T; Fan, Yao; Lin, Yen-Lin; Ma, Shuhua; Wong, Kin-Yiu

2008-01-01

A method for incorporating quantum mechanics into enzyme kinetics modeling is presented. Three aspects are emphasized: 1) combined quantum mechanical and molecular mechanical methods are used to represent the potential energy surface for modeling bond forming and breaking processes, 2) instantaneous normal mode analyses are used to incorporate quantum vibrational free energies to the classical potential of mean force, and 3) multidimensional tunneling methods are used to estimate quantum effects on the reaction coordinate motion. Centroid path integral simulations are described to make quantum corrections to the classical potential of mean force. In this method, the nuclear quantum vibrational and tunneling contributions are not separable. An integrated centroid path integral-free energy perturbation and umbrella sampling (PI-FEP/UM) method along with a bisection sampling procedure was summarized, which provides an accurate, easily convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. In the ensemble-averaged variational transition state theory with multidimensional tunneling (EA-VTST/MT), these three aspects of quantum mechanical effects can be individually treated, providing useful insights into the mechanism of enzymatic reactions. These methods are illustrated by applications to a model process in the gas phase, the decarboxylation reaction of N-methyl picolinate in water, and the proton abstraction and reprotonation process catalyzed by alanine racemase. These examples show that the incorporation of quantum mechanical effects is essential for enzyme kinetics simulations.

Real-time Feynman path integral with Picard–Lefschetz theory and its applications to quantum tunneling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanizaki, Yuya, E-mail: yuya.tanizaki@riken.jp; Theoretical Research Division, Nishina Center, RIKEN, Wako 351-0198; Koike, Takayuki, E-mail: tkoike@ms.u-tokyo.ac.jp

Picard–Lefschetz theory is applied to path integrals of quantum mechanics, in order to compute real-time dynamics directly. After discussing basic properties of real-time path integrals on Lefschetz thimbles, we demonstrate its computational method in a concrete way by solving three simple examples of quantum mechanics. It is applied to quantum mechanics of a double-well potential, and quantum tunneling is discussed. We identify all of the complex saddle points of the classical action, and their properties are discussed in detail. However a big theoretical difficulty turns out to appear in rewriting the original path integral into a sum of path integralsmore » on Lefschetz thimbles. We discuss generality of that problem and mention its importance. Real-time tunneling processes are shown to be described by those complex saddle points, and thus semi-classical description of real-time quantum tunneling becomes possible on solid ground if we could solve that problem. - Highlights: • Real-time path integral is studied based on Picard–Lefschetz theory. • Lucid demonstration is given through simple examples of quantum mechanics. • This technique is applied to quantum mechanics of the double-well potential. • Difficulty for practical applications is revealed, and we discuss its generality. • Quantum tunneling is shown to be closely related to complex classical solutions.« less

Berry phase and Hannay's angle in a quantum-classical hybrid system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, H. D.; Wu, S. L.; Yi, X. X.

2011-06-15

The Berry phase, which was discovered more than two decades ago, provides very deep insight into the geometric structure of quantum mechanics. Its classical counterpart, Hannay's angle, is defined if closed curves of action variables return to the same curves in phase space after a time evolution. In this paper we study the Berry phase and Hannay's angle in a quantum-classical hybrid system under the Born-Oppenheimer approximation. By the term quantum-classical hybrid system, we mean a composite system consists of a quantum subsystem and a classical subsystem. The effects of subsystem-subsystem couplings on the Berry phase and Hannay's angle aremore » explored. The results show that the Berry phase has been changed sharply by the couplings, whereas the couplings have a small effect on the Hannay's angle.« less

Classical Limit and Quantum Logic

NASA Astrophysics Data System (ADS)

Losada, Marcelo; Fortin, Sebastian; Holik, Federico

2018-02-01

The analysis of the classical limit of quantum mechanics usually focuses on the state of the system. The general idea is to explain the disappearance of the interference terms of quantum states appealing to the decoherence process induced by the environment. However, in these approaches it is not explained how the structure of quantum properties becomes classical. In this paper, we consider the classical limit from a different perspective. We consider the set of properties of a quantum system and we study the quantum-to-classical transition of its logical structure. The aim is to open the door to a new study based on dynamical logics, that is, logics that change over time. In particular, we appeal to the notion of hybrid logics to describe semiclassical systems. Moreover, we consider systems with many characteristic decoherence times, whose sublattices of properties become distributive at different times.

Enhanced auditory temporal gap detection in listeners with musical training.

PubMed

Mishra, Srikanta K; Panda, Manas R; Herbert, Carolyn

2014-08-01

Many features of auditory perception are positively altered in musicians. Traditionally auditory mechanisms in musicians are investigated using the Western-classical musician model. The objective of the present study was to adopt an alternative model-Indian-classical music-to further investigate auditory temporal processing in musicians. This study presents that musicians have significantly lower across-channel gap detection thresholds compared to nonmusicians. Use of the South Indian musician model provides an increased external validity for the prediction, from studies on Western-classical musicians, that auditory temporal coding is enhanced in musicians.

Quantized Detector Networks

NASA Astrophysics Data System (ADS)

Jaroszkiewicz, George

2017-12-01

Preface; Acronyms; 1. Introduction; 2. Questions and answers; 3. Classical bits; 4. Quantum bits; 5. Classical and quantum registers; 6. Classical register mechanics; 7. Quantum register dynamics; 8. Partial observations; 9. Mixed states and POVMs; 10. Double-slit experiments; 11. Modules; 12. Computerization and computer algebra; 13. Interferometers; 14. Quantum eraser experiments; 15. Particle decays; 16. Non-locality; 17. Bell inequalities; 18. Change and persistence; 19. Temporal correlations; 20. The Franson experiment; 21. Self-intervening networks; 22. Separability and entanglement; 23. Causal sets; 24. Oscillators; 25. Dynamical theory of observation; 26. Conclusions; Appendix; Index.

Classical impurity ion confinement in a toroidal magnetized fusion plasma.

PubMed

Kumar, S T A; Den Hartog, D J; Caspary, K J; Magee, R M; Mirnov, V V; Chapman, B E; Craig, D; Fiksel, G; Sarff, J S

2012-03-23

High-resolution measurements of impurity ion dynamics provide first-time evidence of classical ion confinement in a toroidal, magnetically confined plasma. The density profile evolution of fully stripped carbon is measured in MST reversed-field pinch plasmas with reduced magnetic turbulence to assess Coulomb-collisional transport without the neoclassical enhancement from particle drift effects. The impurity density profile evolves to a hollow shape, consistent with the temperature screening mechanism of classical transport. Corroborating methane pellet injection experiments expose the sensitivity of the impurity particle confinement time to the residual magnetic fluctuation amplitude.

Interacting charges and the classical electron radius

NASA Astrophysics Data System (ADS)

De Luca, Roberto; Di Mauro, Marco; Faella, Orazio; Naddeo, Adele

2018-03-01

The equation of the motion of a point charge q repelled by a fixed point-like charge Q is derived and studied. In solving this problem useful concepts in classical and relativistic kinematics, in Newtonian mechanics and in non-linear ordinary differential equations are revised. The validity of the approximations is discussed from the physical point of view. In particular the classical electron radius emerges naturally from the requirement that the initial distance is large enough for the non-relativistic approximation to be valid. The relevance of this topic for undergraduate physics teaching is pointed out.

Much Polyphony but Little Harmony: Otto Sackur's Groping for a Quantum Theory of Gases

NASA Astrophysics Data System (ADS)

Badino, Massimiliano; Friedrich, Bretislav

2013-09-01

The endeavor of Otto Sackur (1880-1914) was driven, on the one hand, by his interest in Nernst's heat theorem, statistical mechanics, and the problem of chemical equilibrium and, on the other hand, by his goal to shed light on classical mechanics from the quantum vantage point. Inspired by the interplay between classical physics and quantum theory, Sackur chanced to expound his personal take on the role of the quantum in the changing landscape of physics in the turbulent 1910s. We tell the story of this enthusiastic practitioner of the old quantum theory and early contributor to quantum statistical mechanics, whose scientific ontogenesis provides a telling clue about the phylogeny of his contemporaries.

A Review of the Integration of Classical Biological Control with other Management Techniques to Manage Invasive Weeds in Natural Areas and Rangelands

USDA-ARS?s Scientific Manuscript database

Integrating classical biological control with other management techniques such as herbicide, fire, mechanical control, grazing, or plant competition, can be the most effective way to manage invasive weeds in natural areas and rangelands. Biological control agents can be protected from potential nega...

A Simple Explanation of the Classic Hydrostatic Paradox

ERIC Educational Resources Information Center

Kontomaris, Stylianos-Vasileios; Malamou, Anna

2016-01-01

An interesting problem in fluid mechanics, with significant educational importance, is the classic hydrostatic paradox. The hydrostatic paradox states the fact that in different shaped containers, with the same base area, which are filled with a liquid of the same height, the applied force by the liquid on the base of each container is exactly the…

Quantum chaos: An entropy approach

NASA Astrophysics Data System (ADS)

Sl/omczyński, Wojciech; Życzkowski, Karol

1994-11-01

A new definition of the entropy of a given dynamical system and of an instrument describing the measurement process is proposed within the operational approach to quantum mechanics. It generalizes other definitions of entropy, in both the classical and quantum cases. The Kolmogorov-Sinai (KS) entropy is obtained for a classical system and the sharp measurement instrument. For a quantum system and a coherent states instrument, a new quantity, coherent states entropy, is defined. It may be used to measure chaos in quantum mechanics. The following correspondence principle is proved: the upper limit of the coherent states entropy of a quantum map as ℏ→0 is less than or equal to the KS-entropy of the corresponding classical map. ``Chaos umpire sits, And by decision more imbroils the fray By which he reigns: next him high arbiter Chance governs all.'' John Milton, Paradise Lost, Book II

A quasi-classical mechanism for microwave induced resistance oscillations in high mobility GaAs/AlGaAs 2DEG samples

NASA Astrophysics Data System (ADS)

Studenikin, S. A.; Fedorych, O. N.; Maude, D. K.; Potemski, M.; Sachrajda, A. S.; Wasilewski, Z. R.; Gupta, J. A.; Magarill, L. I.

2008-03-01

In this work we investigate microwave induced resistance oscillations (MIROs) in a GaAs/AlGaAs heterostructure containing a high mobility two-dimensional electron gas (2DEG). We show that MIROs can be explained within a purely classical mechanism based on the Boltzmann equation [L.I. Magarill, I.A. Panaev, S.A. Studenikin, Condens. Matter 7 (1995) 1101]. The MIRO-related transitions can be observed in absorption and we demonstrate it experimentally for the first time using EPR-cavity absorption technique. Next we investigate MIROs and Shubnikov-de Haas (SdH) oscillations at milli-Kelvin temperatures. We find that MIROs persist to approximately three times lower magnetic field as compared with the SdH oscillations, which at temperatures below 50 mK are defined purely by the quantum relaxation time. This finding indicates a possible quasi-classical origin of MIROs.

Evanescent radiation, quantum mechanics and the Casimir effect

NASA Technical Reports Server (NTRS)

Schatten, Kenneth H.

1989-01-01

An attempt to bridge the gap between classical and quantum mechanics and to explain the Casimir effect is presented. The general nature of chaotic motion is discussed from two points of view: the first uses catastrophe theory and strange attractors to describe the deterministic view of this motion; the underlying framework for chaos in these classical dynamic systems is their extreme sensitivity to initial conditions. The second interpretation refers to randomness associated with probabilistic dynamics, as for Brownian motion. The present approach to understanding evanescent radiation and its relation to the Casimir effect corresponds to the first interpretation, whereas stochastic electrodynamics corresponds to the second viewpoint. The nonlinear behavior of the electromagnetic field is also studied. This well-understood behavior is utilized to examine the motions of two orbiting charges and shows a closeness between the classical behavior and the quantum uncertainty principle. The evanescent radiation is used to help explain the Casimir effect.

Classical Dynamics of Fullerenes

NASA Astrophysics Data System (ADS)

Sławianowski, Jan J.; Kotowski, Romuald K.

2017-06-01

The classical mechanics of large molecules and fullerenes is studied. The approach is based on the model of collective motion of these objects. The mixed Lagrangian (material) and Eulerian (space) description of motion is used. In particular, the Green and Cauchy deformation tensors are geometrically defined. The important issue is the group-theoretical approach to describing the affine deformations of the body. The Hamiltonian description of motion based on the Poisson brackets methodology is used. The Lagrange and Hamilton approaches allow us to formulate the mechanics in the canonical form. The method of discretization in analytical continuum theory and in classical dynamics of large molecules and fullerenes enable us to formulate their dynamics in terms of the polynomial expansions of configurations. Another approach is based on the theory of analytical functions and on their approximations by finite-order polynomials. We concentrate on the extremely simplified model of affine deformations or on their higher-order polynomial perturbations.

Kepler unbound: Some elegant curiosities of classical mechanics

NASA Astrophysics Data System (ADS)

MacKay, Niall J.; Salour, Sam

2015-01-01

We explain two exotic systems of classical mechanics: the McIntosh-Cisneros-Zwanziger ("MICZ") Kepler system, of motion of a charged particle in the presence of a modified dyon; and Gibbons and Manton's description of the slow motion of well-separated solitonic ("BPS") monopoles using Taub-NUT space. Each system is characterized by the conservation of a Laplace-Runge-Lenz vector, and we use elementary vector techniques to show that each obeys a subtly different variation on Kepler's three laws for the Newton-Coulomb two-body problem, including a new modified Kepler third law for BPS monopoles.

Determinism, independence, and objectivity are incompatible.

PubMed

Ionicioiu, Radu; Mann, Robert B; Terno, Daniel R

2015-02-13

Hidden-variable models aim to reproduce the results of quantum theory and to satisfy our classical intuition. Their refutation is usually based on deriving predictions that are different from those of quantum mechanics. Here instead we study the mutual compatibility of apparently reasonable classical assumptions. We analyze a version of the delayed-choice experiment which ostensibly combines determinism, independence of hidden variables on the conducted experiments, and wave-particle objectivity (the assertion that quantum systems are, at any moment, either particles or waves, but not both). These three ideas are incompatible with any theory, not only with quantum mechanics.

Dielectric properties of classical and quantized ionic fluids.

PubMed

Høye, Johan S

2010-06-01

We study time-dependent correlation functions of classical and quantum gases using methods of equilibrium statistical mechanics for systems of uniform as well as nonuniform densities. The basis for our approach is the path integral formalism of quantum mechanical systems. With this approach the statistical mechanics of a quantum mechanical system becomes the equivalent of a classical polymer problem in four dimensions where imaginary time is the fourth dimension. Several nontrivial results for quantum systems have been obtained earlier by this analogy. Here, we will focus upon the presence of a time-dependent electromagnetic pair interaction where the electromagnetic vector potential that depends upon currents, will be present. Thus both density and current correlations are needed to evaluate the influence of this interaction. Then we utilize that densities and currents can be expressed by polarizations by which the ionic fluid can be regarded as a dielectric one for which a nonlocal susceptibility is found. This nonlocality has as a consequence that we find no contribution from a possible transverse electric zero-frequency mode for the Casimir force between metallic plates. Further, we establish expressions for a leading correction to ab initio calculations for the energies of the quantized electrons of molecules where now retardation effects also are taken into account.

Quantum Mechanics for Everyone: Hands-On Activities Integrated with Technology.

ERIC Educational Resources Information Center

Zollman, Dean A.; Rebello, N. Sanjay; Hogg, Kirsten

2002-01-01

Explains a hands-on approach to teaching quantum mechanics that challenges the belief shared by many physics instructors that quantum mechanics is a very abstract subject that cannot be understood until students have learned much of the classical physics. (Contains 23 references.) (Author/YDS)

Fundamental theories of waves and particles formulated without classical mass

NASA Astrophysics Data System (ADS)

Fry, J. L.; Musielak, Z. E.

2010-12-01

Quantum and classical mechanics are two conceptually and mathematically different theories of physics, and yet they do use the same concept of classical mass that was originally introduced by Newton in his formulation of the laws of dynamics. In this paper, physical consequences of using the classical mass by both theories are explored, and a novel approach that allows formulating fundamental (Galilean invariant) theories of waves and particles without formally introducing the classical mass is presented. In this new formulation, the theories depend only on one common parameter called 'wave mass', which is deduced from experiments for selected elementary particles and for the classical mass of one kilogram. It is shown that quantum theory with the wave mass is independent of the Planck constant and that higher accuracy of performing calculations can be attained by such theory. Natural units in connection with the presented approach are also discussed and justification beyond dimensional analysis is given for the particular choice of such units.

Classical confinement and outward convection of impurity ions in the MST RFP

NASA Astrophysics Data System (ADS)

Kumar, S. T. A.; Den Hartog, D. J.; Mirnov, V. V.; Caspary, K. J.; Magee, R. M.; Brower, D. L.; Chapman, B. E.; Craig, D.; Ding, W. X.; Eilerman, S.; Fiksel, G.; Lin, L.; Nornberg, M.; Parke, E.; Reusch, J. A.; Sarff, J. S.

2012-05-01

Impurity ion dynamics measured with simultaneously high spatial and temporal resolution reveal classical ion transport in the reversed-field pinch. The boron, carbon, oxygen, and aluminum impurity ion density profiles are obtained in the Madison Symmetric Torus [R. N. Dexter et al., Fusion Technol. 19, 131 (1991)] using a fast, active charge-exchange-recombination-spectroscopy diagnostic. Measurements are made during improved-confinement plasmas obtained using inductive control of tearing instability to mitigate stochastic transport. At the onset of the transition to improved confinement, the impurity ion density profile becomes hollow, with a slow decay in the core region concurrent with an increase in the outer region, implying an outward convection of impurities. Impurity transport from Coulomb collisions in the reversed-field pinch is classical for all collisionality regimes, and analysis shows that the observed hollow profile and outward convection can be explained by the classical temperature screening mechanism. The profile agrees well with classical expectations. Experiments performed with impurity pellet injection provide further evidence for classical impurity ion confinement.

Prequantum classical statistical field theory: background field as a source of everything?

NASA Astrophysics Data System (ADS)

Khrennikov, Andrei

2011-07-01

Prequantum classical statistical field theory (PCSFT) is a new attempt to consider quantum mechanics (QM) as an emergent phenomenon, cf. with De Broglie's "double solution" approach, Bohmian mechanics, stochastic electrodynamics (SED), Nelson's stochastic QM and its generalization by Davidson, 't Hooft's models and their development by Elze. PCSFT is a comeback to a purely wave viewpoint on QM, cf. with early Schrodinger. There is no quantum particles at all, only waves. In particular, photons are simply wave-pulses of the classical electromagnetic field, cf. SED. Moreover, even massive particles are special "prequantum fields": the electron field, the neutron field, and so on. PCSFT claims that (sooner or later) people will be able to measure components of these fields: components of the "photonic field" (the classical electromagnetic field of low intensity), electronic field, neutronic field, and so on. At the moment we are able to produce quantum correlations as correlations of classical Gaussian random fields. In this paper we are interested in mathematical and physical reasons of usage of Gaussian fields. We consider prequantum signals (corresponding to quantum systems) as composed of a huge number of wave-pulses (on very fine prequantum time scale). We speculate that the prequantum background field (the field of "vacuum fluctuations") might play the role of a source of such pulses, i.e., the source of everything.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bunakov, V. E., E-mail: bunakov@VB13190.spb.edu

A critical analysis of the present-day concept of chaos in quantum systems as nothing but a “quantum signature” of chaos in classical mechanics is given. In contrast to the existing semi-intuitive guesses, a definition of classical and quantum chaos is proposed on the basis of the Liouville–Arnold theorem: a quantum chaotic system featuring N degrees of freedom should have M < N independent first integrals of motion (good quantum numbers) specified by the symmetry of the Hamiltonian of the system. Quantitative measures of quantum chaos that, in the classical limit, go over to the Lyapunov exponent and the classical stabilitymore » parameter are proposed. The proposed criteria of quantum chaos are applied to solving standard problems of modern dynamical chaos theory.« less

Decoherence can relax cosmic acceleration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Markkanen, Tommi

In this work we investigate the semi-classical backreaction for a quantised conformal scalar field and classical vacuum energy. In contrast to the usual approximation of a closed system, our analysis includes an environmental sector such that a quantum-to-classical transition can take place. We show that when the system decoheres into a mixed state with particle number as the classical observable de Sitter space is destabilized, which is observable as a gradually decreasing Hubble rate. In particular we show that at late times this mechanism can drive the curvature of the Universe to zero and has an interpretation as the decaymore » of the vacuum energy demonstrating that quantum effects can be relevant for the fate of the Universe.« less

Probing students’ conceptions at the classical-quantum interface

NASA Astrophysics Data System (ADS)

Chhabra, Mahima; Das, Ritwick

2018-03-01

Quantum mechanics (QM) is one of the core subject areas in the undergraduate physics curriculum and many of the advanced level physics courses involve direct or indirect application of the concepts and ideas taught in QM. On the other hand, proper understanding of QM interpretations requires an optimum level of understanding of fundamental concepts in classical physics such as energy, momentum, force and their role in determining motion of the particle. This study is an attempt to explore a group of undergraduate students’ mental models regarding fundamental concepts in classical physics which are actually the stepping stone for understanding and visualisation of QM. The data and analysis presented here elucidate the challenges students face to understand the classical ideas and how that affects their understanding of QM.

Therapeutic Applications of Classic Hallucinogens.

PubMed

Bogenschutz, Michael P; Ross, Stephen

2018-01-01

This chapter reviews what is known about the therapeutic uses of the serotonergic or classic hallucinogens, i.e., psychoactive drugs such as LSD and psilocybin that exert their effects primarily through agonist activity at serotonin 2A (5HT2A) receptors. Following a review of the history of human use and scientific study of these drugs, the data from clinical research are summarized, including extensive work on the use of classic hallucinogens in the treatment of alcoholism and other addictions, studies of the use of LSD and psilocybin to relieve distress concerning death, particularly in patients with advanced or terminal cancer, and more limited data concerning the use of classic hallucinogens to treat mood and anxiety disorders. A survey of possible mechanisms of clinically relevant effects is provided. The well-established safety of classic hallucinogens is reviewed. To provide a clinical perspective, case summaries are provided of two individuals who received treatment in recent controlled trials of psilocybin: one being treated for alcoholism, the other suffering from anxiety and depression related to fear of death due to a cancer diagnosis. Although promising early phase research conducted from the 1950s through the early 1970s was discontinued before firm conclusions could be reached concerning the efficacy of any of the classic hallucinogens for any clinical condition, the research that was conducted in that era strongly suggests that classic hallucinogens have clinically relevant effects, particularly in the case of LSD treatment of alcoholism. In the past decade, clinical trials have resumed investigating the effects of classic hallucinogens in the treatment of existential distress in the face of cancer, and in the treatment of addictions including alcoholism and nicotine addiction. The studies that have been completed to date are not sufficient to establish efficacy, but the outcomes have been very encouraging, and larger trials, up to and including phase 3, are now underway or being planned. Although research has elucidated many of the acute neurobiological and psychological effects of classic hallucinogens on humans, animals, and in vitro systems, the mechanisms of clinically relevant persisting effects remain poorly understood.

Gradual Introduction of Some Aspects of Quantum Mechanics in a High School Curriculum.

ERIC Educational Resources Information Center

Cuppari, A.; Rinaudo, G.; Robutti, O.; Violino, P.

1997-01-01

Suggests that the basic concepts of quantum mechanics can be introduced at the high school level by considering the action of classical mechanics, then introducing Planck's constant as the granularity of that action. Uses the periodic motion of a spring as a practical example. (AIM)

A Better 2-D Mechanical Energy Conservation Experiment

ERIC Educational Resources Information Center

Paesler, Michael

2012-01-01

A variety of simple classical mechanics energy conservation experiments are used in teaching laboratories. Typical one-dimensional (1-D) setups may involve falling balls or oscillating springs. Many of these can be quite satisfying in that students can confirm--within a few percent--that mechanical energy is conserved. Students generally have…

Investigating Learners' Epistemological Framings of Quantum Mechanics

ERIC Educational Resources Information Center

Dini, Vesal

2017-01-01

Classical mechanics challenges students to use their intuitions and experiences as a basis for understanding, in effect to approach learning as "a refinement of everyday thinking'' (Einstein, 1936). Moving on to quantum mechanics (QM), students, like physicists, need to adjust this approach, in particular with respect to the roles that…

Teaching Classical Statistical Mechanics: A Simulation Approach.

ERIC Educational Resources Information Center

Sauer, G.

1981-01-01

Describes a one-dimensional model for an ideal gas to study development of disordered motion in Newtonian mechanics. A Monte Carlo procedure for simulation of the statistical ensemble of an ideal gas with fixed total energy is developed. Compares both approaches for a pseudoexperimental foundation of statistical mechanics. (Author/JN)

Simulation of wave packet tunneling of interacting identical particles

NASA Astrophysics Data System (ADS)

Lozovik, Yu. E.; Filinov, A. V.; Arkhipov, A. S.

2003-02-01

We demonstrate a different method of simulation of nonstationary quantum processes, considering the tunneling of two interacting identical particles, represented by wave packets. The used method of quantum molecular dynamics (WMD) is based on the Wigner representation of quantum mechanics. In the context of this method ensembles of classical trajectories are used to solve quantum Wigner-Liouville equation. These classical trajectories obey Hamiltonian-like equations, where the effective potential consists of the usual classical term and the quantum term, which depends on the Wigner function and its derivatives. The quantum term is calculated using local distribution of trajectories in phase space, therefore, classical trajectories are not independent, contrary to classical molecular dynamics. The developed WMD method takes into account the influence of exchange and interaction between particles. The role of direct and exchange interactions in tunneling is analyzed. The tunneling times for interacting particles are calculated.

Quantum computer games: quantum minesweeper

NASA Astrophysics Data System (ADS)

Gordon, Michal; Gordon, Goren

2010-07-01

The computer game of quantum minesweeper is introduced as a quantum extension of the well-known classical minesweeper. Its main objective is to teach the unique concepts of quantum mechanics in a fun way. Quantum minesweeper demonstrates the effects of superposition, entanglement and their non-local characteristics. While in the classical minesweeper the goal of the game is to discover all the mines laid out on a board without triggering them, in the quantum version there are several classical boards in superposition. The goal is to know the exact quantum state, i.e. the precise layout of all the mines in all the superposed classical boards. The player can perform three types of measurement: a classical measurement that probabilistically collapses the superposition; a quantum interaction-free measurement that can detect a mine without triggering it; and an entanglement measurement that provides non-local information. The application of the concepts taught by quantum minesweeper to one-way quantum computing are also presented.

Quantum vertex model for reversible classical computing.

PubMed

Chamon, C; Mucciolo, E R; Ruckenstein, A E; Yang, Z-C

2017-05-12

Mappings of classical computation onto statistical mechanics models have led to remarkable successes in addressing some complex computational problems. However, such mappings display thermodynamic phase transitions that may prevent reaching solution even for easy problems known to be solvable in polynomial time. Here we map universal reversible classical computations onto a planar vertex model that exhibits no bulk classical thermodynamic phase transition, independent of the computational circuit. Within our approach the solution of the computation is encoded in the ground state of the vertex model and its complexity is reflected in the dynamics of the relaxation of the system to its ground state. We use thermal annealing with and without 'learning' to explore typical computational problems. We also construct a mapping of the vertex model into the Chimera architecture of the D-Wave machine, initiating an approach to reversible classical computation based on state-of-the-art implementations of quantum annealing.

Quantum vertex model for reversible classical computing

NASA Astrophysics Data System (ADS)

Chamon, C.; Mucciolo, E. R.; Ruckenstein, A. E.; Yang, Z.-C.

2017-05-01

Mappings of classical computation onto statistical mechanics models have led to remarkable successes in addressing some complex computational problems. However, such mappings display thermodynamic phase transitions that may prevent reaching solution even for easy problems known to be solvable in polynomial time. Here we map universal reversible classical computations onto a planar vertex model that exhibits no bulk classical thermodynamic phase transition, independent of the computational circuit. Within our approach the solution of the computation is encoded in the ground state of the vertex model and its complexity is reflected in the dynamics of the relaxation of the system to its ground state. We use thermal annealing with and without `learning' to explore typical computational problems. We also construct a mapping of the vertex model into the Chimera architecture of the D-Wave machine, initiating an approach to reversible classical computation based on state-of-the-art implementations of quantum annealing.

Ensembles and Experiments in Classical and Quantum Physics

NASA Astrophysics Data System (ADS)

Neumaier, Arnold

A philosophically consistent axiomatic approach to classical and quantum mechanics is given. The approach realizes a strong formal implementation of Bohr's correspondence principle. In all instances, classical and quantum concepts are fully parallel: the same general theory has a classical realization and a quantum realization. Extending the ''probability via expectation'' approach of Whittle to noncommuting quantities, this paper defines quantities, ensembles, and experiments as mathematical concepts and shows how to model complementarity, uncertainty, probability, nonlocality and dynamics in these terms. The approach carries no connotation of unlimited repeatability; hence it can be applied to unique systems such as the universe. Consistent experiments provide an elegant solution to the reality problem, confirming the insistence of the orthodox Copenhagen interpretation on that there is nothing but ensembles, while avoiding its elusive reality picture. The weak law of large numbers explains the emergence of classical properties for macroscopic systems.

Manifestations of classical physics in the quantum evolution of correlated spin states in pulsed NMR experiments.

PubMed

Ligare, Martin

2016-05-01

Multiple-pulse NMR experiments are a powerful tool for the investigation of molecules with coupled nuclear spins. The product operator formalism provides a way to understand the quantum evolution of an ensemble of weakly coupled spins in such experiments using some of the more intuitive concepts of classical physics and semi-classical vector representations. In this paper I present a new way in which to interpret the quantum evolution of an ensemble of spins. I recast the quantum problem in terms of mixtures of pure states of two spins whose expectation values evolve identically to those of classical moments. Pictorial representations of these classically evolving states provide a way to calculate the time evolution of ensembles of weakly coupled spins without the full machinery of quantum mechanics, offering insight to anyone who understands precession of magnetic moments in magnetic fields.

Coherent-state constellations and polar codes for thermal Gaussian channels

NASA Astrophysics Data System (ADS)

Lacerda, Felipe; Renes, Joseph M.; Scholz, Volkher B.

2017-06-01

Optical communication channels are ultimately quantum mechanical in nature, and we must therefore look beyond classical information theory to determine their communication capacity as well as to find efficient encoding and decoding schemes of the highest rates. Thermal channels, which arise from linear coupling of the field to a thermal environment, are of particular practical relevance; their classical capacity has been recently established, but their quantum capacity remains unknown. While the capacity sets the ultimate limit on reliable communication rates, it does not promise that such rates are achievable by practical means. Here we construct efficiently encodable codes for thermal channels which achieve the classical capacity and the so-called Gaussian coherent information for transmission of classical and quantum information, respectively. Our codes are based on combining polar codes with a discretization of the channel input into a finite "constellation" of coherent states. Encoding of classical information can be done using linear optics.

On classical mechanical systems with non-linear constraints

NASA Astrophysics Data System (ADS)

Terra, Gláucio; Kobayashi, Marcelo H.

2004-03-01

In the present work, we analyze classical mechanical systems with non-linear constraints in the velocities. We prove that the d'Alembert-Chetaev trajectories of a constrained mechanical system satisfy both Gauss' principle of least constraint and Hölder's principle. In the case of a free mechanics, they also satisfy Hertz's principle of least curvature if the constraint manifold is a cone. We show that the Gibbs-Maggi-Appell (GMA) vector field (i.e. the second-order vector field which defines the d'Alembert-Chetaev trajectories) conserves energy for any potential energy if, and only if, the constraint is homogeneous (i.e. if the Liouville vector field is tangent to the constraint manifold). We introduce the Jacobi-Carathéodory metric tensor and prove Jacobi-Carathéodory's theorem assuming that the constraint manifold is a cone. Finally, we present a version of Liouville's theorem on the conservation of volume for the flow of the GMA vector field.

Non-Noetherian symmetries for oscillators in classical mechanics and in field theory

NASA Technical Reports Server (NTRS)

Hojman, Sergio A.; Delajara, Jamie; Pena, Leda

1995-01-01

Infinitely many new conservation laws both for free fields as well as for test fields evolving on a given gravitational background are presented. The conserved currents are constructed using the field theoretical counterpart of a recently discovered non-Noetherian symmetry which gives rise to a new way of solving the classical small oscillations problem. Several examples are discussed.

Geometric Algebra for Physicists

NASA Astrophysics Data System (ADS)

Doran, Chris; Lasenby, Anthony

2007-11-01

Preface; Notation; 1. Introduction; 2. Geometric algebra in two and three dimensions; 3. Classical mechanics; 4. Foundations of geometric algebra; 5. Relativity and spacetime; 6. Geometric calculus; 7. Classical electrodynamics; 8. Quantum theory and spinors; 9. Multiparticle states and quantum entanglement; 10. Geometry; 11. Further topics in calculus and group theory; 12. Lagrangian and Hamiltonian techniques; 13. Symmetry and gauge theory; 14. Gravitation; Bibliography; Index.

A Short Essay on the Uses of Free Energy

ERIC Educational Resources Information Center

Koutandos, Spyridon

2013-01-01

In this article we examine cases of more classical and less classical nature compared to results found by quantum mechanics and attribute a form of Free Energy discontinuity for each case within a boundary layer. The concept of a boundary layer is broadened as to include areas of first or second variations of the Gibbs free energy. It is…

Some recent progress in classical general relativity

NASA Astrophysics Data System (ADS)

Finster, Felix; Smoller, Joel; Yau, Shing-Tung

2000-06-01

In this short survey paper, we shall discuss certain recent results in classical gravity. Our main attention will be restricted to two topics in which we have been involved; the positive mass conjecture and its extensions to the case with horizons, including the Penrose conjecture (Part I), and the interaction of gravity with other force fields and quantum-mechanical particles (Part II).

Rydberg Atoms in Strong Fields: a Testing Ground for Quantum Chaos.

NASA Astrophysics Data System (ADS)

Courtney, Michael

1995-01-01

Rydberg atoms in strong static electric and magnetic fields provide experimentally accessible systems for studying the connections between classical chaos and quantum mechanics in the semiclassical limit. This experimental accessibility has motivated the development of reliable quantum mechanical solutions. This thesis uses both experimental and computed quantum spectra to test the central approaches to quantum chaos. These central approaches consist mainly of developing methods to compute the spectra of quantum systems in non -perturbative regimes, correlating statistical descriptions of eigenvalues with the classical behavior of the same Hamiltonian, and the development of semiclassical methods such as periodic-orbit theory. Particular emphasis is given to identifying the spectral signature of recurrences --quantum wave packets which follow classical orbits. The new findings include: the breakdown of the connection between energy-level statistics and classical chaos in odd-parity diamagnetic lithium, the discovery of the signature of very long period orbits in atomic spectra, quantitative evidence for the scattering of recurrences by the alkali -metal core, quantitative description of the behavior of recurrences near bifurcations, and a semiclassical interpretation of the evolution of continuum Stark spectra. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253-1690.).

What is quantum in quantum randomness?

PubMed

Grangier, P; Auffèves, A

2018-07-13

It is often said that quantum and classical randomness are of different nature, the former being ontological and the latter epistemological. However, so far the question of 'What is quantum in quantum randomness?', i.e. what is the impact of quantization and discreteness on the nature of randomness, remains to be answered. In a first part, we make explicit the differences between quantum and classical randomness within a recently proposed ontology for quantum mechanics based on contextual objectivity. In this view, quantum randomness is the result of contextuality and quantization. We show that this approach strongly impacts the purposes of quantum theory as well as its areas of application. In particular, it challenges current programmes inspired by classical reductionism, aiming at the emergence of the classical world from a large number of quantum systems. In a second part, we analyse quantum physics and thermodynamics as theories of randomness, unveiling their mutual influences. We finally consider new technological applications of quantum randomness that have opened up in the emerging field of quantum thermodynamics.This article is part of a discussion meeting issue 'Foundations of quantum mechanics and their impact on contemporary society'. © 2018 The Author(s).

Interference in the classical probabilistic model and its representation in complex Hilbert space

NASA Astrophysics Data System (ADS)

Khrennikov, Andrei Yu.

2005-10-01

The notion of a context (complex of physical conditions, that is to say: specification of the measurement setup) is basic in this paper.We show that the main structures of quantum theory (interference of probabilities, Born's rule, complex probabilistic amplitudes, Hilbert state space, representation of observables by operators) are present already in a latent form in the classical Kolmogorov probability model. However, this model should be considered as a calculus of contextual probabilities. In our approach it is forbidden to consider abstract context independent probabilities: “first context and only then probability”. We construct the representation of the general contextual probabilistic dynamics in the complex Hilbert space. Thus dynamics of the wave function (in particular, Schrödinger's dynamics) can be considered as Hilbert space projections of a realistic dynamics in a “prespace”. The basic condition for representing of the prespace-dynamics is the law of statistical conservation of energy-conservation of probabilities. In general the Hilbert space projection of the “prespace” dynamics can be nonlinear and even irreversible (but it is always unitary). Methods developed in this paper can be applied not only to quantum mechanics, but also to classical statistical mechanics. The main quantum-like structures (e.g., interference of probabilities) might be found in some models of classical statistical mechanics. Quantum-like probabilistic behavior can be demonstrated by biological systems. In particular, it was recently found in some psychological experiments.

Principles of time evolution in classical physics

NASA Astrophysics Data System (ADS)

Güémez, J.; Fiolhais, M.

2018-07-01

We address principles of time evolution in classical mechanical/thermodynamical systems in translational and rotational motion, in three cases: when there is conservation of mechanical energy, when there is energy dissipation and when there is mechanical energy production. In the first case, the time derivative of the Hamiltonian vanishes. In the second one, when dissipative forces are present, the time evolution is governed by the minimum potential energy principle, or, equivalently, maximum increase of the entropy of the universe. Finally, in the third situation, when internal sources of work are available to the system, it evolves in time according to the principle of minimum Gibbs function. We apply the Lagrangian formulation to the systems, dealing with the non-conservative forces using restriction functions such as the Rayleigh dissipative function.

EPRB Gedankenexperiment and Entanglement with Classical Light Waves

NASA Astrophysics Data System (ADS)

Rashkovskiy, Sergey A.

2018-06-01

In this article we show that results similar to those of the Einstein-Podolsky-Rosen-Bohm (EPRB) Gedankenexperiment and entanglement of photons can be obtained using weak classical light waves if we take into account the discrete (atomic) structure of the detectors and a specific nature of the light-atom interaction. We show that the CHSH (Clauser, Horne, Shimony, and Holt) criterion in the EPRB Gedankenexperiment with classical light waves can exceed not only the maximum value SHV=2 that is predicted by the local hidden-variable theories but also the maximum value S_{QM} = 2√2 predicted by quantum mechanics.

Aspects of Geodesical Motion with Fisher-Rao Metric: Classical and Quantum

NASA Astrophysics Data System (ADS)

Ciaglia, Florio M.; Cosmo, Fabio Di; Felice, Domenico; Mancini, Stefano; Marmo, Giuseppe; Pérez-Pardo, Juan M.

The purpose of this paper is to exploit the geometric structure of quantum mechanics and of statistical manifolds to study the qualitative effect that the quantum properties have in the statistical description of a system. We show that the end points of geodesics in the classical setting coincide with the probability distributions that minimise Shannon’s entropy, i.e. with distributions of zero dispersion. In the quantum setting this happens only for particular initial conditions, which in turn correspond to classical submanifolds. This result can be interpreted as a geometric manifestation of the uncertainty principle.

Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies.

PubMed

Fox, Stephen J; Pittock, Chris; Tautermann, Christofer S; Fox, Thomas; Christ, Clara; Malcolm, N O J; Essex, Jonathan W; Skylaris, Chris-Kriton

2013-08-15

Schemes of increasing sophistication for obtaining free energies of binding have been developed over the years, where configurational sampling is used to include the all-important entropic contributions to the free energies. However, the quality of the results will also depend on the accuracy with which the intermolecular interactions are computed at each molecular configuration. In this context, the energy change associated with the rearrangement of electrons (electronic polarization and charge transfer) upon binding is a very important effect. Classical molecular mechanics force fields do not take this effect into account explicitly, and polarizable force fields and semiempirical quantum or hybrid quantum-classical (QM/MM) calculations are increasingly employed (at higher computational cost) to compute intermolecular interactions in free-energy schemes. In this work, we investigate the use of large-scale quantum mechanical calculations from first-principles as a way of fully taking into account electronic effects in free-energy calculations. We employ a one-step free-energy perturbation (FEP) scheme from a molecular mechanical (MM) potential to a quantum mechanical (QM) potential as a correction to thermodynamic integration calculations within the MM potential. We use this approach to calculate relative free energies of hydration of small aromatic molecules. Our quantum calculations are performed on multiple configurations from classical molecular dynamics simulations. The quantum energy of each configuration is obtained from density functional theory calculations with a near-complete psinc basis set on over 600 atoms using the ONETEP program.

A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum-classical approximation. II. Proton transfer reaction in non-polar solvent

NASA Astrophysics Data System (ADS)

Kojima, H.; Yamada, A.; Okazaki, S.

2015-05-01

The intramolecular proton transfer reaction of malonaldehyde in neon solvent has been investigated by mixed quantum-classical molecular dynamics (QCMD) calculations and fully classical molecular dynamics (FCMD) calculations. Comparing these calculated results with those for malonaldehyde in water reported in Part I [A. Yamada, H. Kojima, and S. Okazaki, J. Chem. Phys. 141, 084509 (2014)], the solvent dependence of the reaction rate, the reaction mechanism involved, and the quantum effect therein have been investigated. With FCMD, the reaction rate in weakly interacting neon is lower than that in strongly interacting water. However, with QCMD, the order of the reaction rates is reversed. To investigate the mechanisms in detail, the reactions were categorized into three mechanisms: tunneling, thermal activation, and barrier vanishing. Then, the quantum and solvent effects were analyzed from the viewpoint of the reaction mechanism focusing on the shape of potential energy curve and its fluctuations. The higher reaction rate that was found for neon in QCMD compared with that found for water solvent arises from the tunneling reactions because of the nearly symmetric double-well shape of the potential curve in neon. The thermal activation and barrier vanishing reactions were also accelerated by the zero-point energy. The number of reactions based on these two mechanisms in water was greater than that in neon in both QCMD and FCMD because these reactions are dominated by the strength of solute-solvent interactions.

Intracochlear pressure measurements in scala media inform models of cochlear mechanics

NASA Astrophysics Data System (ADS)

Kale, Sushrut; Olson, Elizabeth S.

2015-12-01

In the classic view of cochlear mechanics, the cochlea is comprised of two identical fluid chambers separated by the cochlear partition (CP). In this view the traveling wave pressures in the two chambers mirror each other; they are equal in magnitude and opposite in phase. A fast pressure mode adds approximately uniformly. More recent models of cochlear mechanics take into account the structural complexity of the CP and the resulting additional mechanical modes would lead to distinct (non-symmetric) patterns of pressure and motion on the two sides of the CP. However, there was little to no physiological data that explored these predictions. To this aim, we measured intracochlear fluid pressure in scala media (SM), including measurements close to the sensory tissue, using miniaturized pressure sensors (˜ 80 μm outer diameter). Measurements were made in-vivo from the basal cochlear turn in gerbils. SM pressure was measured at two longitudinal locations in different preparations. In a subset of the experiments SM and ST (scala tympani) pressures were measured at the same longitudinal location. Traveling wave pressures were observed in both SM and ST, and showed the relative phase predicted by the classical theory. In addition, SM pressure showed spatial variations that had not been observed in ST, which points to a relatively complex CP motion on the SM side. These data both underscore the first-order validity of the classic cochlear traveling wave model, and open a new view to CP mechanics.

Mechanisms explaining Coulomb's electric force & Lorentz's magnetic force from a classical perspective

NASA Astrophysics Data System (ADS)

Correnti, Dan S.

2018-06-01

The underlying mechanisms of the fundamental electric and magnetic forces are not clear in current models; they are mainly mathematical constructs. This study examines the underlying physics from a classical viewpoint to explain Coulomb's electric force and Lorentz's magnetic force. This is accomplished by building upon already established physics. Although no new physics is introduced, extension of existing models is made by close examination. We all know that an electron carries a bound cylindrical B-field (CBF) as it translates. Here, we show how the electron CBF plays an intrinsic role in the generation of the electric and magnetic forces.

Minimum length from quantum mechanics and classical general relativity.

PubMed

Calmet, Xavier; Graesser, Michael; Hsu, Stephen D H

2004-11-19

We derive fundamental limits on measurements of position, arising from quantum mechanics and classical general relativity. First, we show that any primitive probe or target used in an experiment must be larger than the Planck length lP. This suggests a Planck-size minimum ball of uncertainty in any measurement. Next, we study interferometers (such as LIGO) whose precision is much finer than the size of any individual components and hence are not obviously limited by the minimum ball. Nevertheless, we deduce a fundamental limit on their accuracy of order lP. Our results imply a device independent limit on possible position measurements.

Quantum synchronization of a driven self-sustained oscillator.

PubMed

Walter, Stefan; Nunnenkamp, Andreas; Bruder, Christoph

2014-03-07

Synchronization is a universal phenomenon that is important both in fundamental studies and in technical applications. Here we investigate synchronization in the simplest quantum-mechanical scenario possible, i.e., a quantum-mechanical self-sustained oscillator coupled to an external harmonic drive. Using the power spectrum we analyze synchronization in terms of frequency entrainment and frequency locking in close analogy to the classical case. We show that there is a steplike crossover to a synchronized state as a function of the driving strength. In contrast to the classical case, there is a finite threshold value in driving. Quantum noise reduces the synchronized region and leads to a deviation from strict frequency locking.

KvN mechanics approach to the time-dependent frequency harmonic oscillator.

PubMed

Ramos-Prieto, Irán; Urzúa-Pineda, Alejandro R; Soto-Eguibar, Francisco; Moya-Cessa, Héctor M

2018-05-30

Using the Ermakov-Lewis invariants appearing in KvN mechanics, the time-dependent frequency harmonic oscillator is studied. The analysis builds upon the operational dynamical model, from which it is possible to infer quantum or classical dynamics; thus, the mathematical structure governing the evolution will be the same in both cases. The Liouville operator associated with the time-dependent frequency harmonic oscillator can be transformed using an Ermakov-Lewis invariant, which is also time dependent and commutes with itself at any time. Finally, because the solution of the Ermakov equation is involved in the evolution of the classical state vector, we explore some analytical and numerical solutions.

Thermodynamics and statistical mechanics. [thermodynamic properties of gases

NASA Technical Reports Server (NTRS)

1976-01-01

The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

Beyond velocity and acceleration: jerk, snap and higher derivatives

NASA Astrophysics Data System (ADS)

Eager, David; Pendrill, Ann-Marie; Reistad, Nina

2016-11-01

The higher derivatives of motion are rarely discussed in the teaching of classical mechanics of rigid bodies; nevertheless, we experience the effect not only of acceleration, but also of jerk and snap. In this paper we will discuss the third and higher order derivatives of displacement with respect to time, using the trampolines and theme park roller coasters to illustrate this concept. We will also discuss the effects on the human body of different types of acceleration, jerk, snap and higher derivatives, and how they can be used in physics education to further enhance the learning and thus the understanding of classical mechanics concepts.

Luria-Delbrück Revisited: The Classic Experiment Doesn't Rule out Lamarckian Evolution

NASA Astrophysics Data System (ADS)

Holmes, Caroline; Ghafari, Mahan; Abbas, Anzar; Saravanan, Varun; Nemenman, Ilya

We re-examine data from the classic 1943 Luria-Delbruck fluctuation experiment. This experiment is often credited with establishing that phage resistance in bacteria is acquired through a Darwinian mechanism (natural selection on standing variation) rather than through a Lamarckian mechanism (environmentally induced mutations). We argue that, for the Lamarckian model of evolution to be ruled out by the experiment, the experiment must favor pure Darwinian evolution over both the Lamarckian model and a model that allows both Darwinian and Lamarckian mechanisms. Analysis of the combined model was not performed in the 1943 paper, and nor was analysis of the possibility of neither model fitting the experiment. Using Bayesian model selection, we find that: 1) all datasets from the paper favor Darwinian over purely Lamarckian evolution, 2) some of the datasets are unable to distinguish between the purely Darwinian and the combined models, and 3) the other datasets cannot be explained by any of the models considered. In summary, the classic experiment cannot rule out Lamarckian contributions to the evolutionary dynamics. This work was supported by National Science Foundation Grant 1410978, NIH training Grant 5R90DA033462, and James S. McDonnell Foundation Grant 220020321.

Classical versus quantum dynamical chaos: Sensitivity to external perturbations, stability and reversibility

NASA Astrophysics Data System (ADS)

Sokolov, Valentin V.; Zhirov, Oleg V.; Kharkov, Yaroslav A.

The extraordinary complexity of classical trajectories of typical nonlinear systems that manifest stochastic behavior is intimately connected with exponential sensitivity to small variations of initial conditions and/or weak external perturbations. In rigorous terms, such classical systems are characterized by positive algorithmic complexity described by the Lyapunov exponent or, alternatively, by the Kolmogorov-Sinai entropy. The said implies that, in spite of the fact that, formally, any however complex trajectory of a perfectly isolated (closed) system is unique and differentiable for any certain initial conditions and the motion is perfectly reversible, it is impractical to treat that sort of classical systems as closed ones. Inevitably, arbitrary weak influence of an environment crucially impacts the dynamics. This influence, that can be considered as a noise, rapidly effaces the memory of initial conditions and turns the motion into an irreversible random process. In striking contrast, the quantum mechanics of the classically chaotic systems exhibit much weaker sensitivity and strong memory of the initial state. Qualitatively, this crucial difference could be expected in view of a much simpler structure of quantum states as compared to the extraordinary complexity of random and unpredictable classical trajectories. However the very notion of trajectories is absent in quantum mechanics so that the concept of exponential instability seems to be irrelevant in this case. The problem of a quantitative measure of complexity of a quantum state of motion, that is a very important and nontrivial issue of the theory of quantum dynamical chaos, is the one of our concern. With such a measure in hand, we quantitatively analyze the stability and reversibility of quantum dynamics in the presence of external noise. To solve this problem we point out that individual classical trajectories are of minor interest if the motion is chaotic. Properties of all of them are alike in this case and rather the behavior of their manifolds carries really valuable information. Therefore the phase-space methods and, correspondingly, the Liouville form of the classical mechanics become the most adequate. It is very important that, opposite to the classical trajectories, the classical phase space distribution and the Liouville equation have direct quantum analogs. Hence, the analogy and difference of classical and quantum dynamics can be traced by comparing the classical (W(c)(I,θ;t)) and quantum (Wigner function W(I,θ;t)) phase space distributions both expressed in identical phase-space variables but ruled by different(!) linear equations. The paramount property of the classical dynamical chaos is the exponentially fast structuring of the system's phase space on finer and finer scales. On the contrary, degree of structuring of the corresponding Wigner function is restricted by the quantization of the phase space. This makes Wigner function more coarse and relatively "simple" as compared to its classical counterpart. Fourier analysis affords quite suitable ground for analyzing complexity of a phase space distribution, that is equally valid in classical and quantum cases. We demonstrate that the typical number of Fourier harmonics is indeed a relevant measure of complexity of states of motion in both classical as well as quantum cases. This allowed us to investigate in detail and introduce a quantitative measure of sensitivity to an external noisy environment and formulate the conditions under which the quantum motion remains reversible. It turns out that while the mean number of harmonics of the classical phase-space distribution of a non-integrable system grows with time exponentially during the whole time of the motion, the time of exponential upgrowth of this number in the case of the corresponding quantum Wigner function is restricted only to the Ehrenfest interval 0 < t < tE - just the interval within which the Wigner function still satisfies the classical Liouville equation. We showed that the number of harmonics increases beyond this interval algebraically. This fact gains a crucial importance when the Ehrenfest time is so short that the exponential regime has no time to show up. Under this condition the quantum motion turns out to be quite stable and reversible.

Driven topological systems in the classical limit

NASA Astrophysics Data System (ADS)

Duncan, Callum W.; Öhberg, Patrik; Valiente, Manuel

2017-03-01

Periodically driven quantum systems can exhibit topologically nontrivial behavior, even when their quasienergy bands have zero Chern numbers. Much work has been conducted on noninteracting quantum-mechanical models where this kind of behavior is present. However, the inclusion of interactions in out-of-equilibrium quantum systems can prove to be quite challenging. On the other hand, the classical counterpart of hard-core interactions can be simulated efficiently via constrained random walks. The noninteracting model, proposed by Rudner et al. [Phys. Rev. X 3, 031005 (2013), 10.1103/PhysRevX.3.031005], has a special point for which the system is equivalent to a classical random walk. We consider the classical counterpart of this model, which is exact at a special point even when hard-core interactions are present, and show how these quantitatively affect the edge currents in a strip geometry. We find that the interacting classical system is well described by a mean-field theory. Using this we simulate the dynamics of the classical system, which show that the interactions play the role of Markovian, or time-dependent disorder. By comparing the evolution of classical and quantum edge currents in small lattices, we find regimes where the classical limit considered gives good insight into the quantum problem.

Mechanical properties and the electronic structure of transition of metal alloys

NASA Technical Reports Server (NTRS)

Arsenault, R. J.; Drew, H. D.

1977-01-01

This interdiscipline research program was undertaken in an effort to investigate the relationship between the mechanical strength of Mo based alloys with their electronic structure. Electronic properties of these alloys were examined through optical studies, and the classical solid solution strengthening mechanisms were considered, based on size and molecular differences to determine if these mechanisms could explain the hardness data.

Generation of mechanical interference fringes by multi-photon counting

NASA Astrophysics Data System (ADS)

Ringbauer, M.; Weinhold, T. J.; Howard, L. A.; White, A. G.; Vanner, M. R.

2018-05-01

Exploring the quantum behaviour of macroscopic objects provides an intriguing avenue to study the foundations of physics and to develop a suite of quantum-enhanced technologies. One prominent path of study is provided by quantum optomechanics which utilizes the tools of quantum optics to control the motion of macroscopic mechanical resonators. Despite excellent recent progress, the preparation of mechanical quantum superposition states remains outstanding due to weak coupling and thermal decoherence. Here we present a novel optomechanical scheme that significantly relaxes these requirements allowing the preparation of quantum superposition states of motion of a mechanical resonator by exploiting the nonlinearity of multi-photon quantum measurements. Our method is capable of generating non-classical mechanical states without the need for strong single-photon coupling, is resilient against optical loss, and offers more favourable scaling against initial mechanical thermal occupation than existing schemes. Moreover, our approach allows the generation of larger superposition states by projecting the optical field onto NOON states. We experimentally demonstrate this multi-photon-counting technique on a mechanical thermal state in the classical limit and observe interference fringes in the mechanical position distribution that show phase super-resolution. This opens a feasible route to explore and exploit quantum phenomena at a macroscopic scale.

Prior Knowledge of Mechanics amongst First Year Engineering Students

ERIC Educational Resources Information Center

Clements, Dick

2007-01-01

In the last 25 years, A-level Mathematics syllabi have changed very considerably, introducing a broader range of application areas but reducing the previous emphasis on classical mechanics. This article describes a baseline survey undertaken to establish in detail the entry levels in mechanics for the cohort of students entering Engineering…

Conquering the Physics GRE

NASA Astrophysics Data System (ADS)

Kahn, Yoni; Anderson, Adam

2018-03-01

Preface; How to use this book; Resources; 1. Classical mechanics; 2. Electricity and magnetism; 3. Optics and waves; 4. Thermodynamics and statistical mechanics; 5. Quantum mechanics and atomic physics; 6. Special relativity; 7. Laboratory methods; 8. Specialized topics; 9. Special tips and tricks for the Physics GRE; Sample exams and solutions; References; Equation index; Subject index; Problems index.

From correspondence to complementarity: The emergence of Bohr's Copenhagen interpretation of quantum mechanics

NASA Astrophysics Data System (ADS)

Tanona, Scott Daniel

I develop a new analysis of Niels Bohr's Copenhagen interpretation of quantum mechanics by examining the development of his views from his earlier use of the correspondence principle in the so-called 'old quantum theory' to his articulation of the idea of complementarity in the context of the novel mathematical formalism of quantum mechanics. I argue that Bohr was motivated not by controversial and perhaps dispensable epistemological ideas---positivism or neo-Kantianism, for example---but by his own unique perspective on the difficulties of creating a new working physics of the internal structure of the atom. Bohr's use of the correspondence principle in the old quantum theory was associated with an empirical methodology that used this principle as an epistemological bridge to connect empirical phenomena with quantum models. The application of the correspondence principle required that one determine the validity of the idealizations and approximations necessary for the judicious use of classical physics within quantum theory. Bohr's interpretation of the new quantum mechanics then focused on the largely unexamined ways in which the developing abstract mathematical formalism is given empirical content by precisely this process of approximation. Significant consistency between his later interpretive framework and his forms of argument with the correspondence principle indicate that complementarity is best understood as a relationship among the various approximations and idealizations that must be made when one connects otherwise meaningless quantum mechanical symbols to empirical situations or 'experimental arrangements' described using concepts from classical physics. We discover that this relationship is unavoidable not through any sort of a priori analysis of the priority of classical concepts, but because quantum mechanics incorporates the correspondence approach in the way in which it represents quantum properties with matrices of transition probabilities, the empirical meaning of which depend on the situation but in general are tied to the correspondence connection to the spectra. For Bohr, it is then the commutation relations, which arise from the formalism, which inform us of the complementary nature of this approximate representation of quantum properties via the classical equations through which we connect them to experiments.

Chemical Potential for the Interacting Classical Gas and the Ideal Quantum Gas Obeying a Generalized Exclusion Principle

ERIC Educational Resources Information Center

Sevilla, F. J.; Olivares-Quiroz, L.

2012-01-01

In this work, we address the concept of the chemical potential [mu] in classical and quantum gases towards the calculation of the equation of state [mu] = [mu](n, T) where n is the particle density and "T" the absolute temperature using the methods of equilibrium statistical mechanics. Two cases seldom discussed in elementary textbooks are…

Cyanide - Mechanism of Prophylaxis and Effect on Cytochrome Oxidase.

DTIC Science & Technology

1981-08-15

thiosulfate by chlorpromazine was studied alone and in various combinations with the classic cyanide antidotal combination of sodium nitrite and sodium...greater in the groups given oxygen over the respective groups given air, but the difference was signi- ficant only with groups receiving oxygen alone or...cyanide intoxication by chlorpromazine, parti- cularly when it is employed in combination with the classic cyanide antagonists, sodium nitrite and

Recurrence theorems: A unified account

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace, David, E-mail: david.wallace@balliol.ox.ac.uk

I discuss classical and quantum recurrence theorems in a unified manner, treating both as generalisations of the fact that a system with a finite state space only has so many places to go. Along the way, I prove versions of the recurrence theorem applicable to dynamics on linear and metric spaces and make some comments about applications of the classical recurrence theorem in the foundations of statistical mechanics.

Neurobiology of Learning and Memory: Modulation and Mechanisms

DTIC Science & Technology

1988-08-01

Behavioral Biology, 6 (1976) pp. 45-62. Birt, D. and Olds, M., Associative response changes in lateral midbrain tegmentum and medial geniculate during...medial geniculate body of the cat during classical conditioning, Society for Neuroscience Abstracts, 6, (1976), p. 435. Ryugo, D.K. and Weinberger, N.M...Differential plasticity of morphologi- cally distinct neuron populations in the medial geniculate body of the cat during classical conditioning

A Classic Test of the Hubbert-Rubey Weakening Mechanism: M7.6 Thrust-Belt Earthquake Taiwan

NASA Astrophysics Data System (ADS)

Yue, L.; Suppe, J.

2005-12-01

The Hubbert-Rubey (1959) fluid-pressure hypothesis has long been accepted as a classic solution to the problem of the apparent weakness of long thin thrust sheets. This hypothesis, in its classic form argues that ambient high pore-fluid pressures, which are common in sedimentary basins, reduce the normalized shear traction on the fault τb/ρ g H = μb(1-λb) where λb=Pf/ρ g H is the normalized pore-fluid pressure and μb is the coefficient of friction. Remarkably, there have been few large-scale tests of this classic hypothesis. Here we document ambient pore-fluid pressures surrounding the active frontal thrusts of western Taiwan, including the Chulungpu thrust that slipped in the 1999 Mw7.6 Chi-Chi earthquake. We show from 3-D mapping of these thrusts that they flatten to a shallow detachment at about 5 km depth in the Pliocene Chinshui Shale. Using critical-taper wedge theory and the dip of the detachment and surface slope we constrain the basal shear traction τb/ρ g H ≍ 0.1 which is substantially weaker than common lab friction values of of Byerlee's law (μb= 0.85-0.6). We have determined the pore-fluid pressures as a function of depth in 76 wells, based on in-situ formation tests, sonic logs and mud densities. Fluid pressures are regionally controlled stratigraphically by sedimentary facies. The top of overpressures is everywhere below the base of the Chinshui Shale, therefore the entire Chinshui thrust system is at ambient hydrostatic pore-fluid pressures (λb ≍ 0.4). According to the classic Hubbert-Rubey hypothesis the required basal coefficient of friction is therefore μb ≍ 0.1-0.2. Therefore the classic Hubbert & Rubey mechanism involving static ambient excess fluid pressures is not the cause of extreme fault weakening in this western Taiwan example. We must look to other mechanisms of large-scale fault weakening, many of which are difficult to test.

Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.

PubMed

Lemkul, Justin A; MacKerell, Alexander D

2017-05-09

Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used to simulate biomolecular systems use fixed atomic partial charges, neglecting the influence of electronic polarization, instead making use of a mean-field approximation that may not be transferable across environments. Recent hardware and software developments make polarizable simulations feasible, and to this end, polarizable force fields represent the next generation of molecular dynamics simulation technology. In this work, we describe the refinement of a polarizable force field for DNA based on the classical Drude oscillator model by targeting quantum mechanical interaction energies and conformational energy profiles of model compounds necessary to build a complete DNA force field. The parametrization strategy employed in the present work seeks to correct weak base stacking in A- and B-DNA and the unwinding of Z-DNA observed in the previous version of the force field, called Drude-2013. Refinement of base nonbonded terms and reparametrization of dihedral terms in the glycosidic linkage, deoxyribofuranose rings, and important backbone torsions resulted in improved agreement with quantum mechanical potential energy surfaces. Notably, we expand on previous efforts by explicitly including Z-DNA conformational energetics in the refinement.

Is classical mechanics a prerequisite for learning physics of the 20th century?

NASA Astrophysics Data System (ADS)

Walwema, Godfrey B.; French, Debbie A.; Verley, Jim D.; Burrows, Andrea C.

2016-11-01

Physics of the 20th century has contributed significantly to modern technology, and yet many physics students are never availed the opportunity to study it as part of the curriculum. One of the possible reasons why it is not taught in high school and introductory physics courses could be because curriculum designers believe that students need a solid background in classical mechanics and calculus in order to study physics of the 20th century such as the photoelectric effect, special and general relativity, the uncertainty principle, etc. This presumption may not be justifiable or valid. The authors of this paper contend that teaching physics of the 20th century aids students in relating physics to modern technology and the real world, making studying physics exciting. In this study, the authors correlated scores for matched questions in the Mechanics Baseline Test and a physics of the 20th century test in order to examine the trend of the scores. The participants included undergraduate students attending an introductory algebra-based physics course with no intention of taking physics at a higher level. The analysis of the scores showed no significant correlation for any of the matched pairs of questions. The purpose of this article is to recommend that even without a solid background in classical mechanics, teachers can introduce physics of the 20th century to their students for increased interest.

A model for one-dimensional morphoelasticity and its application to fibroblast-populated collagen lattices.

PubMed

Menon, Shakti N; Hall, Cameron L; McCue, Scott W; McElwain, D L Sean

2017-10-01

The mechanical behaviour of solid biological tissues has long been described using models based on classical continuum mechanics. However, the classical continuum theories of elasticity and viscoelasticity cannot easily capture the continual remodelling and associated structural changes in biological tissues. Furthermore, models drawn from plasticity theory are difficult to apply and interpret in this context, where there is no equivalent of a yield stress or flow rule. In this work, we describe a novel one-dimensional mathematical model of tissue remodelling based on the multiplicative decomposition of the deformation gradient. We express the mechanical effects of remodelling as an evolution equation for the effective strain, a measure of the difference between the current state and a hypothetical mechanically relaxed state of the tissue. This morphoelastic model combines the simplicity and interpretability of classical viscoelastic models with the versatility of plasticity theory. A novel feature of our model is that while most models describe growth as a continuous quantity, here we begin with discrete cells and develop a continuum representation of lattice remodelling based on an appropriate limit of the behaviour of discrete cells. To demonstrate the utility of our approach, we use this framework to capture qualitative aspects of the continual remodelling observed in fibroblast-populated collagen lattices, in particular its contraction and its subsequent sudden re-expansion when remodelling is interrupted.

Quantum-mechanical analysis of low-gain free-electron laser oscillators

NASA Astrophysics Data System (ADS)

Fares, H.; Yamada, M.; Chiadroni, E.; Ferrario, M.

2018-05-01

In the previous classical theory of the low-gain free-electron laser (FEL) oscillators, the electron is described as a point-like particle, a delta function in the spatial space. On the other hand, in the previous quantum treatments, the electron is described as a plane wave with a single momentum state, a delta function in the momentum space. In reality, an electron must have statistical uncertainties in the position and momentum domains. Then, the electron is neither a point-like charge nor a plane wave of a single momentum. In this paper, we rephrase the theory of the low-gain FEL where the interacting electron is represented quantum mechanically by a plane wave with a finite spreading length (i.e., a wave packet). Using the concepts of the transformation of reference frames and the statistical quantum mechanics, an expression for the single-pass radiation gain is derived. The spectral broadening of the radiation is expressed in terms of the spreading length of an electron, the relaxation time characterizing the energy spread of electrons, and the interaction time. We introduce a comparison between our results and those obtained in the already known classical analyses where a good agreement between both results is shown. While the correspondence between our results and the classical results are shown, novel insights into the electron dynamics and the interaction mechanism are presented.

Thermal helium clusters at 3.2 Kelvin in classical and semiclassical simulations

NASA Astrophysics Data System (ADS)

Schulte, J.

1993-03-01

The thermodynamic stability of4He4-13 at 3.2 K is investigated with the classical Monte Carlo method, with the semiclassical path-integral Monte Carlo (PIMC) method, and with the semiclassical all-order many-body method. In the all-order many-body simulation the dipole-dipole approximation including short-range correction is used. The resulting stability plots are discussed and related to recent TOF experiments by Stephens and King. It is found that with classical Monte Carlo of course the characteristics of the measured mass spectrum cannot be resolved. With PIMC, switching on more and more quantum mechanics. by raising the number of virtual time steps results in more structure in the stability plot, but this did not lead to sufficient agreement with the TOF experiment. Only the all-order many-body method resolved the characteristic structures of the measured mass spectrum, including magic numbers. The result shows the influence of quantum statistics and quantum mechanics on the stability of small neutral helium clusters.

On a low-dimensional model for magnetostriction

NASA Astrophysics Data System (ADS)

Iyer, R. V.; Manservisi, S.

2006-02-01

In recent years, a low-dimensional model for thin magnetostrictive actuators that incorporated magneto-elastic coupling, inertial and damping effects, ferromagnetic hysteresis and classical eddy current losses was developed using energy-balance principles by Venkataraman and Krishnaprasad. This model, with the classical Preisach operator representing the hysteretic constitutive relation between the magnetic field and magnetization in the axial direction, proved to be very successful in capturing dynamic hysteresis effects with electrical inputs in the 0-50 Hz range and constant mechanical loading. However, it is well known that for soft ferromagnetic materials there exist excess losses in addition to the classical eddy current losses. In this work, we propose to extend the above mentioned model for a magnetostrictive rod actuator by including excess losses via a nonlinear resistive element in the actuator circuit. We then show existence and uniqueness of solutions for the proposed model for electrical voltage input in the space L2(0,T)∩L∞(0,T) and mechanical force input in the space L2(0,T).

Elucidating reaction mechanisms on quantum computers.

PubMed

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M; Wecker, Dave; Troyer, Matthias

2017-07-18

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Elucidating reaction mechanisms on quantum computers

PubMed Central

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-01-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources. PMID:28674011

Elucidating reaction mechanisms on quantum computers

NASA Astrophysics Data System (ADS)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-07-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Magnetopause structure from satellite observations

NASA Technical Reports Server (NTRS)

Sonnerup, B. U. O.

1979-01-01

Observations on magnetopause structure are reported. Major topics covered include: classical reconnection, transport mechanisms, magnetospheric boundary layers, tearing modes, and Jupiter's magnetopause.

Quantum theory of multiscale coarse-graining.

PubMed

Han, Yining; Jin, Jaehyeok; Wagner, Jacob W; Voth, Gregory A

2018-03-14

Coarse-grained (CG) models serve as a powerful tool to simulate molecular systems at much longer temporal and spatial scales. Previously, CG models and methods have been built upon classical statistical mechanics. The present paper develops a theory and numerical methodology for coarse-graining in quantum statistical mechanics, by generalizing the multiscale coarse-graining (MS-CG) method to quantum Boltzmann statistics. A rigorous derivation of the sufficient thermodynamic consistency condition is first presented via imaginary time Feynman path integrals. It identifies the optimal choice of CG action functional and effective quantum CG (qCG) force field to generate a quantum MS-CG (qMS-CG) description of the equilibrium system that is consistent with the quantum fine-grained model projected onto the CG variables. A variational principle then provides a class of algorithms for optimally approximating the qMS-CG force fields. Specifically, a variational method based on force matching, which was also adopted in the classical MS-CG theory, is generalized to quantum Boltzmann statistics. The qMS-CG numerical algorithms and practical issues in implementing this variational minimization procedure are also discussed. Then, two numerical examples are presented to demonstrate the method. Finally, as an alternative strategy, a quasi-classical approximation for the thermal density matrix expressed in the CG variables is derived. This approach provides an interesting physical picture for coarse-graining in quantum Boltzmann statistical mechanics in which the consistency with the quantum particle delocalization is obviously manifest, and it opens up an avenue for using path integral centroid-based effective classical force fields in a coarse-graining methodology.

Exploring the importance of quantum effects in nucleation: The archetypical Nen case

NASA Astrophysics Data System (ADS)

Unn-Toc, Wesley; Halberstadt, Nadine; Meier, Christoph; Mella, Massimo

2012-07-01

The effect of quantum mechanics (QM) on the details of the nucleation process is explored employing Ne clusters as test cases due to their semi-quantal nature. In particular, we investigate the impact of quantum mechanics on both condensation and dissociation rates in the framework of the microcanonical ensemble. Using both classical trajectories and two semi-quantal approaches (zero point averaged dynamics, ZPAD, and Gaussian-based time dependent Hartree, G-TDH) to model cluster and collision dynamics, we simulate the dissociation and monomer capture for Ne8 as a function of the cluster internal energy, impact parameter and collision speed. The results for the capture probability Ps(b) as a function of the impact parameter suggest that classical trajectories always underestimate capture probabilities with respect to ZPAD, albeit at most by 15%-20% in the cases we studied. They also do so in some important situations when using G-TDH. More interestingly, dissociation rates kdiss are grossly overestimated by classical mechanics, at least by one order of magnitude. We interpret both behaviours as mainly due to the reduced amount of kinetic energy available to a quantum cluster for a chosen total internal energy. We also find that the decrease in monomer dissociation energy due to zero point energy effects plays a key role in defining dissociation rates. In fact, semi-quantal and classical results for kdiss seem to follow a common "corresponding states" behaviour when the proper definition of internal and dissociation energies are used in a transition state model estimation of the evaporation rate constants.

A Crystal Structure of Classical Swine Fever Virus NS5B Reveals a Novel N-terminal Domain.

PubMed

Li, Weiwei; Wu, Baixing; Soca, Wibowo Adian; An, Lei

2018-05-02

Classical swine fever virus (CSFV) is the ringleader of Classical swine fever (CSF). The non-structural protein 5B (NS5B) encodes an RNA-dependent RNA polymerase (RdRp) that is a key enzyme initiating viral RNA replication by a de novo mechanism. It is also an attractive target for the development of anti-CSFV drugs. To gain a better understanding on the mechanism of CSFV RNA synthesis, here we solved the first crystal structure of CSFV-NS5B. Our studies show that the CSFV-NS5B RdRp contains characteristic fingers, palm domain and thumb domain as well as a unique N-terminal domain (NTD) that had never been observed. Mutagenesis studies on NS5B validated the importance of NTD in the catalytic activity of this novel RNA-dependent RNA polymerase. Moreover, our results shed light on the understanding of CSFV infection. IMPORTANCE Pigs are important domestic animal. However, a highly contagious viral disease named Classical swine fever (CSF) causes devastating economic losses. Classical swine fever virus (CSFV) is the primary culprit of CSF, which is a positive-sense single-stranded RNA virus belonging to the Pestivirus genus, Flaviviridae family. Genome replication of CSFV depends on RNA-dependent RNA polymerase known as NS5B. However, the structure of CSFV-NS5B has never been reported, and the mechanism of CSFV replication is poorly understood. Here, we solved the first crystal structure of CSFV-NS5B, analyzed the function of characteristic fingers, palm, and thumb domains. Additionally, our structure also revealed the presence of a novel N-terminal domain (NTD). Biochemical studies demonstrated that the NTD of CSFV-NS5B is very important for RNA-dependent RNA polymerase (RdRp) activity. Collectively, our studies provide a structural basis for future rational design of anti-CSFV drugs which is critically important as no effective anti-CSFV drugs have been developed. Copyright © 2018 American Society for Microbiology.

Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electronically non-adiabatic processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cotton, Stephen J.; Miller, William H., E-mail: millerwh@berkeley.edu

A recently described symmetrical windowing methodology [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] for quasi-classical trajectory simulations is applied here to the Meyer-Miller [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] model for the electronic degrees of freedom in electronically non-adiabatic dynamics. Results generated using this classical approach are observed to be in very good agreement with accurate quantum mechanical results for a variety of test applications, including problems where coherence effects are significant such as the challenging asymmetric spin-boson system.

Probabilities for time-dependent properties in classical and quantum mechanics

NASA Astrophysics Data System (ADS)

Losada, Marcelo; Vanni, Leonardo; Laura, Roberto

2013-05-01

We present a formalism which allows one to define probabilities for expressions that involve properties at different times for classical and quantum systems and we study its lattice structure. The formalism is based on the notion of time translation of properties. In the quantum case, the properties involved should satisfy compatibility conditions in order to obtain well-defined probabilities. The formalism is applied to describe the double-slit experiment.

Nitric oxide signaling: classical, less classical, and nonclassical mechanisms.

PubMed

Martínez-Ruiz, Antonio; Cadenas, Susana; Lamas, Santiago

2011-07-01

Although nitric oxide (NO) was identified more than 150 years ago and its effects were clinically tested in the form of nitroglycerine, it was not until the decades of 1970-1990 that it was described as a gaseous signal transducer. Since then, a canonical pathway linked to cyclic GMP (cGMP) as its quintessential effector has been established, but other modes of action have emerged and are now part of the common body of knowledge within the field. Classical (or canonical) signaling involves the selective activation of soluble guanylate cyclase, the generation of cGMP, and the activation of specific kinases (cGMP-dependent protein kinases) by this cyclic nucleotide. Nonclassical signaling alludes to the formation of NO-induced posttranslational modifications (PTMs), especially S-nitrosylation, S-glutathionylation, and tyrosine nitration. These PTMs are governed by specific biochemical mechanisms as well as by enzymatic systems. In addition, a less classical but equally important pathway is related to the interaction between NO and mitochondrial cytochrome c oxidase, which might have important implications for cell respiration and intermediary metabolism. Cross talk trespassing these necessarily artificial conceptual boundaries is progressively being identified and hence an integrated systems biology approach to the comprehension of NO function will probably emerge in the near future. Copyright © 2011 Elsevier Inc. All rights reserved.

A Postulated Mechanism That Leads to Materialization and Dematerialization of Matter and to Antigravity.

ERIC Educational Resources Information Center

Bearden, Thomas E.

This document presents a discussion of the postulated mechanism that leads to the materialization and dematerialization of matter and to antigravity. The mechanism also explains why an orbital electron does not radiate energy, in contradiction to classical electromagnetic theory. One of the paradoxes of special relativity is explained. A new model…

Spinomotive force induced by a transverse displacement current in a thin metal or doped-semiconductor sheet: Classical and quantum views.

NASA Astrophysics Data System (ADS)

Hu, Chia-Ren

2004-03-01

We present classical macroscopic, microscopic, and quantum mechanical arguments to show that in a metallic or electron/hole-doped semiconducting sheet thinner than the screening length, a displacement current applied normal to it can induce a spinomotive force along it. The magnitude is weak but clearly detectable. The classical arguments are purely electromagnetic. The quantum argument, based on the Dirac equation, shows that the predicted effect originates from the spin-orbit interaction, but not of the usual kind. That is, it relies on an external electric field, whereas the usual S-O interaction involves the electric field generated by the ions. Because the Dirac equation incorporatesThomas precession, which is due to relativistic kinematics, the quantum prediction is a factor of two smaller than the classical prediction. Replacing the displacement current by a charge current, and one obtains a new source for the spin-Hall effect. Classical macroscopic argument also predicts its existence, but the other two views are controversial.

Extended theory of harmonic maps connects general relativity to chaos and quantum mechanism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Gang; Duan, Yi-Shi

General relativity and quantum mechanism are two separate rules of modern physics explaining how nature works. Both theories are accurate, but the direct connection between two theories was not yet clarified. Recently, researchers blur the line between classical and quantum physics by connecting chaos and entanglement equation. Here in this paper, we showed the Duan's extended HM theory, which has the solution of the general relativity, can also have the solutions of the classic chaos equations and even the solution of Schrödinger equation in quantum physics, suggesting the extended theory of harmonic maps may act as a universal theory ofmore » physics.« less

Extended theory of harmonic maps connects general relativity to chaos and quantum mechanism

DOE PAGES

Ren, Gang; Duan, Yi-Shi

2017-07-20

General relativity and quantum mechanism are two separate rules of modern physics explaining how nature works. Both theories are accurate, but the direct connection between two theories was not yet clarified. Recently, researchers blur the line between classical and quantum physics by connecting chaos and entanglement equation. Here in this paper, we showed the Duan's extended HM theory, which has the solution of the general relativity, can also have the solutions of the classic chaos equations and even the solution of Schrödinger equation in quantum physics, suggesting the extended theory of harmonic maps may act as a universal theory ofmore » physics.« less

Evaluation of parameters for particles acceleration by the zero-point field of quantum electrodynamics

NASA Technical Reports Server (NTRS)

Rueda, A.

1985-01-01

That particles may be accelerated by vacuum effects in quantum field theory has been repeatedly proposed in the last few years. A natural upshot of this is a mechanism for cosmic rays (CR) primaries acceleration. A mechanism for acceleration by the zero-point field (ZPE) when the ZPE is taken in a realistic sense (in opposition to a virtual field) was considered. Originally the idea was developed within a semiclassical context. The classical Einstein-Hopf model (EHM) was used to show that free isolated electromagnrtically interacting particles performed a random walk in phase space and more importantly in momentum space when submitted to the perennial action of the so called classical electromagnrtic ZPE.

Membrane estrogen receptors - is it an alternative way of estrogen action?

PubMed

Soltysik, K; Czekaj, P

2013-04-01

The functions of estrogens are relatively well known, however the molecular mechanism of their action is not clear. The classical pathway of estrogen action is dependent on ERα and ERβ which act as transcription factors. The effects of this pathway occur within hours or days. In addition, so-called, non-classical mechanism of steroid action dependent on membrane estrogen receptors (mER) was described. In this mechanism the effects of estrogen action are observed in a much shorter time. Here we review the structure and cellular localization of mER, molecular basis of non-classical mER action, physiological role of mER as well as implications of mER action for cancer biology. Finally, some concerns about the new estrogen receptor - GPER and candidates for estrogen receptors - ER-X and ERx, are briefly discussed. It seems that mER is a complex containing signal proteins (signalosome), as IGF receptor, EGF receptor, Ras protein, adaptor protein Shc, non-receptor kinase c-Src and PI-3K, what rationalizes production of second messengers. Some features of membrane receptors are almost identical if compared to nuclear receptors. Probably, membrane and nuclear estrogen receptors are not separate units, but rather the components of a complex mechanism in which they both cooperate with each other. We conclude that the image of the estrogen receptor as a simple transcription factor is a far-reaching simplification. A better understanding of the mechanisms of estrogen action will help us to design more effective drugs affecting signal pathways depending on both membrane and nuclear receptors.

A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum–classical approximation. II. Proton transfer reaction in non-polar solvent

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kojima, H.; Yamada, A.; Okazaki, S., E-mail: okazaki@apchem.nagoya-u.ac.jp

2015-05-07

The intramolecular proton transfer reaction of malonaldehyde in neon solvent has been investigated by mixed quantum–classical molecular dynamics (QCMD) calculations and fully classical molecular dynamics (FCMD) calculations. Comparing these calculated results with those for malonaldehyde in water reported in Part I [A. Yamada, H. Kojima, and S. Okazaki, J. Chem. Phys. 141, 084509 (2014)], the solvent dependence of the reaction rate, the reaction mechanism involved, and the quantum effect therein have been investigated. With FCMD, the reaction rate in weakly interacting neon is lower than that in strongly interacting water. However, with QCMD, the order of the reaction rates ismore » reversed. To investigate the mechanisms in detail, the reactions were categorized into three mechanisms: tunneling, thermal activation, and barrier vanishing. Then, the quantum and solvent effects were analyzed from the viewpoint of the reaction mechanism focusing on the shape of potential energy curve and its fluctuations. The higher reaction rate that was found for neon in QCMD compared with that found for water solvent arises from the tunneling reactions because of the nearly symmetric double-well shape of the potential curve in neon. The thermal activation and barrier vanishing reactions were also accelerated by the zero-point energy. The number of reactions based on these two mechanisms in water was greater than that in neon in both QCMD and FCMD because these reactions are dominated by the strength of solute–solvent interactions.« less

Finite-block-length analysis in classical and quantum information theory.

PubMed

Hayashi, Masahito

2017-01-01

Coding technology is used in several information processing tasks. In particular, when noise during transmission disturbs communications, coding technology is employed to protect the information. However, there are two types of coding technology: coding in classical information theory and coding in quantum information theory. Although the physical media used to transmit information ultimately obey quantum mechanics, we need to choose the type of coding depending on the kind of information device, classical or quantum, that is being used. In both branches of information theory, there are many elegant theoretical results under the ideal assumption that an infinitely large system is available. In a realistic situation, we need to account for finite size effects. The present paper reviews finite size effects in classical and quantum information theory with respect to various topics, including applied aspects.

The ambiguity of simplicity in quantum and classical simulation

NASA Astrophysics Data System (ADS)

Aghamohammadi, Cina; Mahoney, John R.; Crutchfield, James P.

2017-04-01

A system's perceived simplicity depends on whether it is represented classically or quantally. This is not so surprising, as classical and quantum physics are descriptive frameworks built on different assumptions that capture, emphasize, and express different properties and mechanisms. What is surprising is that, as we demonstrate, simplicity is ambiguous: the relative simplicity between two systems can change sign when moving between classical and quantum descriptions. Here, we associate simplicity with small model-memory. We see that the notions of absolute physical simplicity at best form a partial, not a total, order. This suggests that appeals to principles of physical simplicity, via Ockham's Razor or to the ;elegance; of competing theories, may be fundamentally subjective. Recent rapid progress in quantum computation and quantum simulation suggest that the ambiguity of simplicity will strongly impact statistical inference and, in particular, model selection.

Finite-block-length analysis in classical and quantum information theory

PubMed Central

HAYASHI, Masahito

2017-01-01

Coding technology is used in several information processing tasks. In particular, when noise during transmission disturbs communications, coding technology is employed to protect the information. However, there are two types of coding technology: coding in classical information theory and coding in quantum information theory. Although the physical media used to transmit information ultimately obey quantum mechanics, we need to choose the type of coding depending on the kind of information device, classical or quantum, that is being used. In both branches of information theory, there are many elegant theoretical results under the ideal assumption that an infinitely large system is available. In a realistic situation, we need to account for finite size effects. The present paper reviews finite size effects in classical and quantum information theory with respect to various topics, including applied aspects. PMID:28302962

Integral approximations to classical diffusion and smoothed particle hydrodynamics

DOE PAGES

Du, Qiang; Lehoucq, R. B.; Tartakovsky, A. M.

2014-12-31

The contribution of the paper is the approximation of a classical diffusion operator by an integral equation with a volume constraint. A particular focus is on classical diffusion problems associated with Neumann boundary conditions. By exploiting this approximation, we can also approximate other quantities such as the flux out of a domain. Our analysis of the model equation on the continuum level is closely related to the recent work on nonlocal diffusion and peridynamic mechanics. In particular, we elucidate the role of a volumetric constraint as an approximation to a classical Neumann boundary condition in the presence of physical boundary.more » The volume-constrained integral equation then provides the basis for accurate and robust discretization methods. As a result, an immediate application is to the understanding and improvement of the Smoothed Particle Hydrodynamics (SPH) method.« less

Integrating Computational Chemistry into a Course in Classical Thermodynamics

ERIC Educational Resources Information Center

Martini, Sheridan R.; Hartzell, Cynthia J.

2015-01-01

Computational chemistry is commonly addressed in the quantum mechanics course of undergraduate physical chemistry curricula. Since quantum mechanics traditionally follows the thermodynamics course, there is a lack of curricula relating computational chemistry to thermodynamics. A method integrating molecular modeling software into a semester long…

Teaching Physics and Feeling Good about It.

ERIC Educational Resources Information Center

Prokop, Charles F.

1988-01-01

Describes a high school physics teaching sequence including more modern topics. The first quarter covers cosmology, astronomy, optics, wave mechanics, relativity, gravity, and quantum theory. The second quarter covers classical mechanics. The third quarter covers electromagnetism and electronics. The fourth quarter consists of thermodynamics and…

Attentional, Associative, and Configural Mechanisms in Extinction

ERIC Educational Resources Information Center

Larrauri, Jose A.; Schmajuk, Nestor A.

2008-01-01

The participation of attentional and associative mechanisms in extinction, spontaneous recovery, external disinhibition, renewal, reinstatement, and reacquisition was evaluated through computer simulations with an extant computational model of classical conditioning (N. A. Schmajuk, Y. Lam, & J. A. Gray, 1996; N. A. Schmajuk & J. A. Larrauri,…

Metals and lipid oxidation. Contemporary issues.

PubMed

Schaich, K M

1992-03-01

Lipid oxidation is now recognized to be a critically important reaction in physiological and toxicological processes as well as in food products. This provides compelling reasons to understand what causes lipid oxidation in order to be able to prevent or control the reactions. Redox-active metals are major factors catalyzing lipid oxidation in biological systems. Classical mechanisms of direct electron transfer to double bonds by higher valence metals and of reduction of hydroperoxides by lower valence metals do not always account for patterns of metal catalysis of lipid oxidation in multiphasic or compartmentalized biological systems. To explain why oxidation kinetics, mechanisms, and products in molecular environments which are both chemically and physically complex often do not follow classical patterns predicted by model system studies, increased consideration must be given to five contemporary issues regarding metal catalysis of lipid oxidation: hypervalent non-heme iron or iron-oxygen complexes, heme catalysis mechanism(s), compartmentalization of reactions and lipid phase reactions of metals, effects of metals on product mixes, and factors affecting the mode of metal catalytic action.

Coupling of Fast and Slow Modes in the Reaction Pathway of the Minimal Hammerhead Ribozyme Cleavage

PubMed Central

Radhakrishnan, Ravi

2007-01-01

By employing classical molecular dynamics, correlation analysis of coupling between slow and fast dynamical modes, and free energy (umbrella) sampling using classical as well as mixed quantum mechanics molecular mechanics force fields, we uncover a possible pathway for phosphoryl transfer in the self-cleaving reaction of the minimal hammerhead ribozyme. The significance of this pathway is that it initiates from the minimal hammerhead crystal structure and describes the reaction landscape as a conformational rearrangement followed by a covalent transformation. The delineated mechanism is catalyzed by two metal (Mg2+) ions, proceeds via an in-line-attack by CYT 17 O2′ on the scissile phosphorous (ADE 1.1 P), and is therefore consistent with the experimentally observed inversion configuration. According to the delineated mechanism, the coupling between slow modes involving the hammerhead backbone with fast modes in the cleavage site appears to be crucial for setting up the in-line nucleophilic attack. PMID:17545240

Symmetry aspects in emergent quantum mechanics

NASA Astrophysics Data System (ADS)

Elze, Hans-Thomas

2009-06-01

We discuss an explicit realization of the dissipative dynamics anticipated in the proof of 't Hooft's existence theorem, which states that 'For any quantum system there exists at least one deterministic model that reproduces all its dynamics after prequantization'. - There is an energy-parity symmetry hidden in the Liouville equation, which mimics the Kaplan-Sundrum protective symmetry for the cosmological constant. This symmetry may be broken by the coarse-graining inherent in physics at scales much larger than the Planck length. We correspondingly modify classical ensemble theory by incorporating dissipative fluctuations (information loss) - which are caused by discrete spacetime continually 'measuring' matter. In this way, aspects of quantum mechanics, such as the von Neumann equation, including a Lindblad term, arise dynamically and expectations of observables agree with the Born rule. However, the resulting quantum coherence is accompanied by an intrinsic decoherence and continuous localization mechanism. Our proposal leads towards a theory that is linear and local at the quantum mechanical level, but the relation to the underlying classical degrees of freedom is nonlocal.

The Development of Rigorously Correct, Dynamical Pseudopotentials for Use in Mixed Quantum/Classical Molecular Dynamics Simulations in the Condensed Phase

NASA Astrophysics Data System (ADS)

Kahros, Argyris

Incorporating quantum mechanics into an atomistic simulation necessarily involves solving the Schrodinger equation. Unfortunately, the computational expense associated with solving this equation scales miserably with the number of included quantum degrees of freedom (DOF). The situation is so dire, in fact, that a molecular dynamics (MD) simulation cannot include more than a small number of quantum DOFs before it becomes computationally intractable. Thus, if one were to simulate a relatively large system, such as one containing several hundred atoms or molecules, it would be unreasonable to attempt to include the effects of all of the electrons associated with all of the components of the system. The mixed quantum/classical (MQC) approach provides a way to circumvent this issue. It involves treating the vast majority of the system classically, which incurs minimal computational expense, and reserves the consideration of quantum mechanical effects for only the few degrees of freedom more directly involved in the chemical phenomenon being studied. For example, if one were to study the bonding of a single diatomic molecule in the gas phase, one could employ a MQC approach by treating the nuclei of the molecule's two atoms classically---including the deeply bound, low-energy electrons that change relatively little---and solving the Schrodinger equation only for the high energy electron(s) directly involved in the bonding of the classical cores. In such a way, one could study the bonding of this molecule in a rigorous fashion while treating only the directly related degrees of freedom quantum mechanically. Pseudopotentials are then responsible for dictating the interactions between the quantum and classical degrees of freedom. As these potentials are the sole link between the quantum and classical DOFs, their proper development is of the utmost importance. This Thesis is concerned primarily with my work on the development of novel, rigorous and dynamical pseudopotentials for use in mixed quantum/ classical simulations in the condensed phase. The pseudopotentials discussed within are constructed in an ab initio fashion, without the introduction of any empiricism, and are able to exactly reproduce the results of higher level, fully quantum mechanical Hartree-Fock calculations. A recurring theme in the following pages is overcoming the so-called frozen core approximation (FCA). This essentially comes down to creating pseudopotentials that are able to respond in some way to the local molecular environment in a rigorous fashion. The various methods and discussions that are part of this document are presented in the context of two particular systems. The first is the sodium dimer cation molecule, which serves as a proof of concept for the development of coordinate-dependent pseudopotentials and is the subject of Chapters 2 and 3. Next, the hydrated electron---the excess electron in liquid water---is tackled in an effort to address the recent controversy concerning its true structure and is the subject of Chapters 4 and 5. In essence, the work in this Dissertation is concerned with finding new ways to overcome the problem of a lack of infinite computer processing power.

Quantum Hamiltonian daemons: Unitary analogs of combustion engines

NASA Astrophysics Data System (ADS)

Thesing, Eike P.; Gilz, Lukas; Anglin, James R.

2017-07-01

Hamiltonian daemons have recently been defined classically as small, closed Hamiltonian systems which can exhibit secular energy transfer from high-frequency to low-frequency degrees of freedom (steady downconversion), analogous to the steady transfer of energy in a combustion engine from the high terahertz frequencies of molecular excitations to the low kilohertz frequencies of piston motion [L. Gilz, E. P. Thesing, and J. R. Anglin, Phys. Rev. E 94, 042127 (2016), 10.1103/PhysRevE.94.042127]. Classical daemons achieve downconversion within a small, closed system by exploiting nonlinear resonances; the adiabatic theorem permits their operation but imposes nontrivial limitations on their efficiency. Here we investigate a simple example of a quantum mechanical daemon. In the correspondence regime it obeys similar efficiency limits to its classical counterparts, but in the strongly quantum mechanical regime the daemon operates in an entirely different manner. It maintains an engine-like behavior in a distinctly quantum mechanical form: a weight is lifted at a steady average speed through a long sequence of quantum jumps in momentum, at each of which a quantum of fuel is consumed. The quantum daemon can cease downconversion at any time through nonadiabatic Landau-Zener transitions, and continuing operation of the quantum daemon is associated with steadily growing entanglement between fast and slow degrees of freedom.

Does Bohm's Quantum Force Have a Classical Origin?

NASA Astrophysics Data System (ADS)

Lush, David C.

2016-08-01

In the de Broglie-Bohm formulation of quantum mechanics, the electron is stationary in the ground state of hydrogenic atoms, because the quantum force exactly cancels the Coulomb attraction of the electron to the nucleus. In this paper it is shown that classical electrodynamics similarly predicts the Coulomb force can be effectively canceled by part of the magnetic force that occurs between two similar particles each consisting of a point charge moving with circulatory motion at the speed of light. Supposition of such motion is the basis of the Zitterbewegung interpretation of quantum mechanics. The magnetic force between two luminally-circulating charges for separation large compared to their circulatory motions contains a radial inverse square law part with magnitude equal to the Coulomb force, sinusoidally modulated by the phase difference between the circulatory motions. When the particles have equal mass and their circulatory motions are aligned but out of phase, part of the magnetic force is equal but opposite the Coulomb force. This raises a possibility that the quantum force of Bohmian mechanics may be attributable to the magnetic force of classical electrodynamics. It is further shown that relative motion between the particles leads to modulation of the magnetic force with spatial period equal to the de Broglie wavelength.

Open or closed? Dirac, Heisenberg, and the relation between classical and quantum mechanics

NASA Astrophysics Data System (ADS)

Bokulich, Alisa

2004-09-01

This paper describes a long-standing, though little known, debate between Dirac and Heisenberg over the nature of scientific methodology, theory change, and intertheoretic relations. Following Heisenberg's terminology, their disagreements can be summarized as a debate over whether the classical and quantum theories are "open" or "closed." A close examination of this debate sheds new light on the philosophical views of two of the great founders of quantum theory.

Bistability and displacement fluctuations in a quantum nanomechanical oscillator

NASA Astrophysics Data System (ADS)

Avriller, R.; Murr, B.; Pistolesi, F.

2018-04-01

Remarkable features have been predicted for the mechanical fluctuations at the bistability transition of a classical oscillator coupled capacitively to a quantum dot [Micchi et al., Phys. Rev. Lett. 115, 206802 (2015), 10.1103/PhysRevLett.115.206802]. These results have been obtained in the regime ℏ ω0≪kBT ≪ℏ Γ , where ω0, T , and Γ are the mechanical resonating frequency, the temperature, and the tunneling rate, respectively. A similar behavior could be expected in the quantum regime of ℏ Γ ≪kBT ≪ℏ ω0 . We thus calculate the energy- and displacement-fluctuation spectra and study their behavior as a function of the electromechanical coupling constant when the system enters the Frank-Condon regime. We find that in analogy with the classical case, the energy-fluctuation spectrum and the displacement spectrum widths show a maximum for values of the coupling constant at which a mechanical bistability is established.

Quantum plasmonics: optical properties of a nanomatryushka.

PubMed

Kulkarni, Vikram; Prodan, Emil; Nordlander, Peter

2013-01-01

Quantum mechanical effects can significantly reduce the plasmon-induced field enhancements around nanoparticles. Here we present a quantum mechanical investigation of the plasmon resonances in a nanomatryushka, which is a concentric core-shell nanoparticle consisting of a solid metallic core encapsulated in a thin metallic shell. We compute the optical response using the time-dependent density functional theory and compare the results with predictions based on the classical electromagnetic theory. We find strong quantum mechanical effects for core-shell spacings below 5 Å, a regime where both the absorption cross section and the local field enhancements differ significantly from the classical predictions. We also show that the workfunction of the metal is a crucial parameter determining the onset and magnitude of quantum effects. For metals with lower workfunctions such as aluminum, the quantum effects are found to be significantly more pronounced than for a noble metal such as gold.

Statistical Thermodynamics and Microscale Thermophysics

NASA Astrophysics Data System (ADS)

Carey, Van P.

1999-08-01

Many exciting new developments in microscale engineering are based on the application of traditional principles of statistical thermodynamics. In this text Van Carey offers a modern view of thermodynamics, interweaving classical and statistical thermodynamic principles and applying them to current engineering systems. He begins with coverage of microscale energy storage mechanisms from a quantum mechanics perspective and then develops the fundamental elements of classical and statistical thermodynamics. Subsequent chapters discuss applications of equilibrium statistical thermodynamics to solid, liquid, and gas phase systems. The remainder of the book is devoted to nonequilibrium thermodynamics of transport phenomena and to nonequilibrium effects and noncontinuum behavior at the microscale. Although the text emphasizes mathematical development, Carey includes many examples and exercises to illustrate how the theoretical concepts are applied to systems of scientific and engineering interest. In the process he offers a fresh view of statistical thermodynamics for advanced undergraduate and graduate students, as well as practitioners, in mechanical, chemical, and materials engineering.

On the onset of surface condensation: formation and transition mechanisms of condensation mode

PubMed Central

Sheng, Qiang; Sun, Jie; Wang, Qian; Wang, Wen; Wang, Hua Sheng

2016-01-01

Molecular dynamics simulations have been carried out to investigate the onset of surface condensation. On surfaces with different wettability, we snapshot different condensation modes (no-condensation, dropwise condensation and filmwise condensation) and quantitatively analyze their characteristics by temporal profiles of surface clusters. Two different types of formation of nanoscale droplets are identified, i.e. the formations with and without film-like condensate. We exhibit the effect of surface tensions on the formations of nanoscale droplets and film. We reveal the formation mechanisms of different condensation modes at nanoscale based on our simulation results and classical nucleation theory, which supplements the ‘classical hypotheses’ of the onset of dropwise condensation. We also reveal the transition mechanism between different condensation modes based on the competition between surface tensions and reveal that dropwise condensation represents the transition states from no-condensation to filmwise condensation. PMID:27481071

On the onset of surface condensation: formation and transition mechanisms of condensation mode.

PubMed

Sheng, Qiang; Sun, Jie; Wang, Qian; Wang, Wen; Wang, Hua Sheng

2016-08-02

Molecular dynamics simulations have been carried out to investigate the onset of surface condensation. On surfaces with different wettability, we snapshot different condensation modes (no-condensation, dropwise condensation and filmwise condensation) and quantitatively analyze their characteristics by temporal profiles of surface clusters. Two different types of formation of nanoscale droplets are identified, i.e. the formations with and without film-like condensate. We exhibit the effect of surface tensions on the formations of nanoscale droplets and film. We reveal the formation mechanisms of different condensation modes at nanoscale based on our simulation results and classical nucleation theory, which supplements the 'classical hypotheses' of the onset of dropwise condensation. We also reveal the transition mechanism between different condensation modes based on the competition between surface tensions and reveal that dropwise condensation represents the transition states from no-condensation to filmwise condensation.

Realistic clocks, universal decoherence, and the black hole information paradox.

PubMed

Gambini, Rodolfo; Porto, Rafael A; Pullin, Jorge

2004-12-10

Ordinary quantum mechanics is formulated on the basis of the existence of an ideal classical clock external to the system under study. This is clearly an idealization. As emphasized originally by Salecker and Wigner and more recently by others, there exist limits in nature to how "classical" even the best possible clock can be. With realistic clocks, quantum mechanics ceases to be unitary and a fundamental mechanism of decoherence of quantum states arises. We estimate the rate of the universal loss of unitarity using optimal realistic clocks. In particular, we observe that the rate is rapid enough to eliminate the black hole information puzzle: all information is lost through the fundamental decoherence before the black hole can evaporate. This improves on a previous calculation we presented with a suboptimal clock in which only part of the information was lost by the time of evaporation.

Explicit polarization: a quantum mechanical framework for developing next generation force fields.

PubMed

Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

2014-09-16

Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples involving water clusters (which show the power of two-body corrections), ethylmethylimidazolium acetate ionic liquids (which reveal that the amount of charge transfer between anion and cation is much smaller than what has been assumed in some classical simulations), and a solvated protein in aqueous solution (which shows that the average charge distribution of carbonyl groups along the polypeptide chain depends strongly on their position in the sequence, whereas they are fixed in most classical force fields). The development of QMFFs also offers an opportunity to extend the accuracy of biochemical simulations to areas where classical force fields are often insufficient, especially in the areas of spectroscopy, reactivity, and enzyme catalysis.

Viruses and neurodegeneration

PubMed Central

2013-01-01

Neurodegenerative diseases (NDs) are chronic degenerative diseases of the central nervous system (CNS), which affect 37 million people worldwide. As the lifespan increases, the NDs are the fourth leading cause of death in the developed countries and becoming increasingly prevalent in developing countries. Despite considerable research, the underlying mechanisms remain poorly understood. Although the large majority of studies do not show support for the involvement of pathogenic aetiology in classical NDs, a number of emerging studies show support for possible association of viruses with classical neurodegenerative diseases in humans. Space does not permit for extensive details to be discussed here on non-viral-induced neurodegenerative diseases in humans, as they are well described in literature. Viruses induce alterations and degenerations of neurons both directly and indirectly. Their ability to attack the host immune system, regions of nervous tissue implies that they can interfere with the same pathways involved in classical NDs in humans. Supporting this, many similarities between classical NDs and virus-mediated neurodegeneration (non-classical) have been shown at the anatomic, sub-cellular, genomic and proteomic levels suggesting that viruses can explain neurodegenerative disorders mechanistically. The main objective of this review is to provide readers a detailed snapshot of similarities viral and non-viral neurodegenerative diseases share, so that mechanistic pathways of neurodegeneration in human NDs can be clearly understood. Viruses can guide us to unveil these pathways in human NDs. This will further stimulate the birth of new concepts in the biological research, which is needed for gaining deeper insights into the treatment of human NDs and delineate mechanisms underlying neurodegeneration. PMID:23724961

The Non-Classical Renin-Angiotensin System and Renal Function

PubMed Central

Chappell, Mark C.

2014-01-01

The renin-angiotensin-system (RAS) constitutes one of the most important hormonal systems in the physiological regulation of blood pressure through renal and non-renal mechanisms. Indeed, dysregulation of the RAS is considered a major factor in the development of cardiovascular pathologies including kidney injury and blockade of this system by the inhibition of angiotensin converting enzyme (ACE) or blockade of the angiotensin type 1 receptor (AT1R) by selective antagonists constitutes an effective therapeutic regimen. It is now apparent with the identification of multiple components of the RAS within the kidney and other tissues that the system is actually composed of different angiotensin peptides with diverse biological actions mediated by distinct receptor subtypes. The classic RAS can be defined as the ACE-Ang II AT1R axis that promotes vasoconstriction, water intake, sodium retention and other mechanisms to maintain blood pressure, as well as increase oxidative stress, fibrosis, cellular growth and inflammation in pathological conditions. In contrast, the non-classical RAS composed primarily of the AngII/Ang III–AT2R pathway and the ACE2-Ang-(1-7)-AT7R axis generally opposes the actions of a stimulated Ang II-AT1R axis through an increase in nitric oxide and prostaglandins and mediates vasodilation, natriuresis, diuresis, and a reduced oxidative stress. Moreover, increasing evidence suggests that these non-classical RAS components contribute to the therapeutic blockade of the classical system to reduce blood pressure and attenuate various indices of renal injury, as well as contribute to normal renal function. PMID:23720263

Derivation of the Schrodinger Equation from the Hamilton-Jacobi Equation in Feynman's Path Integral Formulation of Quantum Mechanics

ERIC Educational Resources Information Center

Field, J. H.

2011-01-01

It is shown how the time-dependent Schrodinger equation may be simply derived from the dynamical postulate of Feynman's path integral formulation of quantum mechanics and the Hamilton-Jacobi equation of classical mechanics. Schrodinger's own published derivations of quantum wave equations, the first of which was also based on the Hamilton-Jacobi…

Mechanics as the Logical Point of Entry for the Enculturation into Scientific Thinking

ERIC Educational Resources Information Center

Carson, Robert; Rowlands, Stuart

2005-01-01

Force in modern classical mechanics is unique, both in terms of its logical character and the conceptual difficulties it causes. Force is well defined by a set of axioms that not only structures mechanics but science in general. Force is also the dominant theme in the "misconceptions" literature and many philosophers and physicists alike have…

Historical and critical review of the development of nonholonomic mechanics: the classical period

NASA Astrophysics Data System (ADS)

Borisov, Alexey V.; Mamaev, Ivan S.; Bizyaev, Ivan A.

2016-07-01

In this historical review we describe in detail the main stages of the development of nonholonomic mechanics starting from the work of Earnshaw and Ferrers to the monograph of Yu. I.Neimark and N.A. Fufaev. In the appendix to this review we discuss the d'Alembert-Lagrange principle in nonholonomic mechanics and permutation relations.

Skinner-Rusk unified formalism for higher-order systems

NASA Astrophysics Data System (ADS)

Prieto-Martínez, Pedro Daniel; Román-Roy, Narciso

2012-07-01

The Lagrangian-Hamiltonian unified formalism of R. Skinner and R. Rusk was originally stated for autonomous dynamical systems in classical mechanics. It has been generalized for non-autonomous first-order mechanical systems, first-order and higher-order field theories, and higher-order autonomous systems. In this work we present a generalization of this formalism for higher-order non-autonomous mechanical systems.

Quantum-mechanical machinery for rational decision-making in classical guessing game

NASA Astrophysics Data System (ADS)

Bang, Jeongho; Ryu, Junghee; Pawłowski, Marcin; Ham, Byoung S.; Lee, Jinhyoung

2016-02-01

In quantum game theory, one of the most intriguing and important questions is, “Is it possible to get quantum advantages without any modification of the classical game?” The answer to this question so far has largely been negative. So far, it has usually been thought that a change of the classical game setting appears to be unavoidable for getting the quantum advantages. However, we give an affirmative answer here, focusing on the decision-making process (we call ‘reasoning’) to generate the best strategy, which may occur internally, e.g., in the player’s brain. To show this, we consider a classical guessing game. We then define a one-player reasoning problem in the context of the decision-making theory, where the machinery processes are designed to simulate classical and quantum reasoning. In such settings, we present a scenario where a rational player is able to make better use of his/her weak preferences due to quantum reasoning, without any altering or resetting of the classically defined game. We also argue in further analysis that the quantum reasoning may make the player fail, and even make the situation worse, due to any inappropriate preferences.

The Associations of Naturalistic Classic Psychedelic Use, Mystical Experience, and Creative Problem Solving.

PubMed

Sweat, Noah W; Bates, Larry W; Hendricks, Peter S

2016-01-01

Developing methods for improving creativity is of broad interest. Classic psychedelics may enhance creativity; however, the underlying mechanisms of action are unknown. This study was designed to assess whether a relationship exists between naturalistic classic psychedelic use and heightened creative problem-solving ability and if so, whether this is mediated by lifetime mystical experience. Participants (N = 68) completed a survey battery assessing lifetime mystical experience and circumstances surrounding the most memorable experience. They were then administered a functional fixedness task in which faster completion times indicate greater creative problem-solving ability. Participants reporting classic psychedelic use concurrent with mystical experience (n = 11) exhibited significantly faster times on the functional fixedness task (Cohen's d = -.87; large effect) and significantly greater lifetime mystical experience (Cohen's d = .93; large effect) than participants not reporting classic psychedelic use concurrent with mystical experience. However, lifetime mystical experience was unrelated to completion times on the functional fixedness task (standardized β = -.06), and was therefore not a significant mediator. Classic psychedelic use may increase creativity independent of its effects on mystical experience. Maximizing the likelihood of mystical experience may need not be a goal of psychedelic interventions designed to boost creativity.

Exact, E = 0, classical and quantum solutions for general power-law oscillators

NASA Technical Reports Server (NTRS)

Nieto, Michael Martin; Daboul, Jamil

1995-01-01

For zero energy, E = 0, we derive exact, classical and quantum solutions for all power-law oscillators with potentials V(r) = -gamma/r(exp nu), gamma greater than 0 and -infinity less than nu less than infinity. When the angular momentum is non-zero, these solutions lead to the classical orbits (p(t) = (cos mu(phi(t) - phi(sub 0)t))(exp 1/mu) with mu = nu/2 - 1 does not equal 0. For nu greater than 2, the orbits are bound and go through the origin. We calculate the periods and precessions of these bound orbits, and graph a number of specific examples. The unbound orbits are also discussed in detail. Quantum mechanically, this system is also exactly solvable. We find that when nu is greater than 2 the solutions are normalizable (bound), as in the classical case. Further, there are normalizable discrete, yet unbound, states. They correspond to unbound classical particles which reach infinity in a finite time. Finally, the number of space dimensions of the system can determine whether or not an E = 0 state is bound. These and other interesting comparisons to the classical system will be discussed.

Quantum-mechanical machinery for rational decision-making in classical guessing game

PubMed Central

Bang, Jeongho; Ryu, Junghee; Pawłowski, Marcin; Ham, Byoung S.; Lee, Jinhyoung

2016-01-01

In quantum game theory, one of the most intriguing and important questions is, “Is it possible to get quantum advantages without any modification of the classical game?” The answer to this question so far has largely been negative. So far, it has usually been thought that a change of the classical game setting appears to be unavoidable for getting the quantum advantages. However, we give an affirmative answer here, focusing on the decision-making process (we call ‘reasoning’) to generate the best strategy, which may occur internally, e.g., in the player’s brain. To show this, we consider a classical guessing game. We then define a one-player reasoning problem in the context of the decision-making theory, where the machinery processes are designed to simulate classical and quantum reasoning. In such settings, we present a scenario where a rational player is able to make better use of his/her weak preferences due to quantum reasoning, without any altering or resetting of the classically defined game. We also argue in further analysis that the quantum reasoning may make the player fail, and even make the situation worse, due to any inappropriate preferences. PMID:26875685

Quantum-mechanical machinery for rational decision-making in classical guessing game.

PubMed

Bang, Jeongho; Ryu, Junghee; Pawłowski, Marcin; Ham, Byoung S; Lee, Jinhyoung

2016-02-15

In quantum game theory, one of the most intriguing and important questions is, "Is it possible to get quantum advantages without any modification of the classical game?" The answer to this question so far has largely been negative. So far, it has usually been thought that a change of the classical game setting appears to be unavoidable for getting the quantum advantages. However, we give an affirmative answer here, focusing on the decision-making process (we call 'reasoning') to generate the best strategy, which may occur internally, e.g., in the player's brain. To show this, we consider a classical guessing game. We then define a one-player reasoning problem in the context of the decision-making theory, where the machinery processes are designed to simulate classical and quantum reasoning. In such settings, we present a scenario where a rational player is able to make better use of his/her weak preferences due to quantum reasoning, without any altering or resetting of the classically defined game. We also argue in further analysis that the quantum reasoning may make the player fail, and even make the situation worse, due to any inappropriate preferences.

Supersaturated calcium carbonate solutions are classical

PubMed Central

Henzler, Katja; Fetisov, Evgenii O.; Galib, Mirza; Baer, Marcel D.; Legg, Benjamin A.; Borca, Camelia; Xto, Jacinta M.; Pin, Sonia; Fulton, John L.; Schenter, Gregory K.; Govind, Niranjan; Siepmann, J. Ilja; Mundy, Christopher J.; Huthwelker, Thomas; De Yoreo, James J.

2018-01-01

Mechanisms of CaCO3 nucleation from solutions that depend on multistage pathways and the existence of species far more complex than simple ions or ion pairs have recently been proposed. Herein, we provide a tightly coupled theoretical and experimental study on the pathways that precede the initial stages of CaCO3 nucleation. Starting from molecular simulations, we succeed in correctly predicting bulk thermodynamic quantities and experimental data, including equilibrium constants, titration curves, and detailed x-ray absorption spectra taken from the supersaturated CaCO3 solutions. The picture that emerges is in complete agreement with classical views of cluster populations in which ions and ion pairs dominate, with the concomitant free energy landscapes following classical nucleation theory. PMID:29387793

Supersaturated calcium carbonate solutions are classical.

PubMed

Henzler, Katja; Fetisov, Evgenii O; Galib, Mirza; Baer, Marcel D; Legg, Benjamin A; Borca, Camelia; Xto, Jacinta M; Pin, Sonia; Fulton, John L; Schenter, Gregory K; Govind, Niranjan; Siepmann, J Ilja; Mundy, Christopher J; Huthwelker, Thomas; De Yoreo, James J

2018-01-01

Mechanisms of CaCO 3 nucleation from solutions that depend on multistage pathways and the existence of species far more complex than simple ions or ion pairs have recently been proposed. Herein, we provide a tightly coupled theoretical and experimental study on the pathways that precede the initial stages of CaCO 3 nucleation. Starting from molecular simulations, we succeed in correctly predicting bulk thermodynamic quantities and experimental data, including equilibrium constants, titration curves, and detailed x-ray absorption spectra taken from the supersaturated CaCO 3 solutions. The picture that emerges is in complete agreement with classical views of cluster populations in which ions and ion pairs dominate, with the concomitant free energy landscapes following classical nucleation theory.

The role of a posteriori mathematics in physics

NASA Astrophysics Data System (ADS)

MacKinnon, Edward

2018-05-01

The calculus that co-evolved with classical mechanics relied on definitions of functions and differentials that accommodated physical intuitions. In the early nineteenth century mathematicians began the rigorous reformulation of calculus and eventually succeeded in putting almost all of mathematics on a set-theoretic foundation. Physicists traditionally ignore this rigorous mathematics. Physicists often rely on a posteriori math, a practice of using physical considerations to determine mathematical formulations. This is illustrated by examples from classical and quantum physics. A justification of such practice stems from a consideration of the role of phenomenological theories in classical physics and effective theories in contemporary physics. This relates to the larger question of how physical theories should be interpreted.

Quantum and classical dissipation of charged particles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ibarra-Sierra, V.G.; Anzaldo-Meneses, A.; Cardoso, J.L.

2013-08-15

A Hamiltonian approach is presented to study the two dimensional motion of damped electric charges in time dependent electromagnetic fields. The classical and the corresponding quantum mechanical problems are solved for particular cases using canonical transformations applied to Hamiltonians for a particle with variable mass. Green’s function is constructed and, from it, the motion of a Gaussian wave packet is studied in detail. -- Highlights: •Hamiltonian of a damped charged particle in time dependent electromagnetic fields. •Exact Green’s function of a charged particle in time dependent electromagnetic fields. •Time evolution of a Gaussian wave packet of a damped charged particle.more » •Classical and quantum dynamics of a damped electric charge.« less

Study of geometric phase using classical coupled oscillators

NASA Astrophysics Data System (ADS)

Bhattacharjee, Sharba; Dey, Biprateep; Mohapatra, Ashok K.

2018-05-01

We illustrate the geometric phase associated with the cyclic dynamics of a classical system of coupled oscillators. We use an analogy between a classical coupled oscillator and a two-state quantum mechanical system to represent the evolution of the oscillator on an equivalent Hilbert space, which may be represented as a trajectory on the surface of a sphere. The cyclic evolution of the system leads to a change in phase, which consists of a dynamic phase along with an additional phase shift dependent on the geometry of the evolution. A simple experiment suitable for advanced undergraduate students is designed to study the geometric phase incurred during cyclic evolution of a coupled oscillator.

Thermal and mechanical characteristics of stainless steel, titanium-molybdenum, and nickel-titanium archwires.

PubMed

Kusy, Robert P; Whitley, John Q

2007-02-01

In recent years, nickel-titanium (Ni-Ti) archwires have been developed that undergo thermal transitions. Before the practitioner can fully utilize these products, the effect of those transitions within the clinical application must be understood. The transitional temperatures and mechanical stiffnesses of 3 archwire alloys--stainless steel, beta-titanium, and Ni-Ti--were investigated were for 7 products. Among the nickel-titanium alloys, 2 were thought to represent classic Ni-Ti products and 3 copper (Cu)-Ni-Ti products. By using 2 techniques, differential scanning calorimetry to measure heat flow and dynamic mechanical analysis to measure storage modulus, transition temperatures were evaluated from -30 degrees C to +80 degrees C. With regard to the first technique, no transitions were observed for the stainless steel alloy, the beta-titanium alloy, and 1 of the 2 classic Ni-Ti products. For the other classic Ni-Ti product, however, a martensitic-austenitic transition was suggested on heating, and a reverse transformation was suggested on cooling. As expected, the Cu-Ni-Ti 27, 35, and 40 products manifested austenitic finish temperatures of 29.3 degrees C, 31.4 degrees C, and 37.3 degrees C, respectively, as the enthalpy increased from 2.47 to 3.18 calories per gram. With regard to the second technique, the storage modulus at a low frequency of 0.1 Hz paralleled static mechanical tests for the stainless steel alloy (183 gigapascal [GPa]), the beta-titanium alloy (64 GPa), and the Nitinol Classic (3M Unitek, Monrovia, Calif) product that represented a stable martensitic phase (41 GPa). The remaining 4 Ni-Ti products generally varied from 20 to 35 GPa when the low-temperature or martensitic phase was present and from 60 to 70 GPa after the high-temperature or austenitic phase had formed. From the clinical viewpoint, the Orthonol (Rocky Mountain Orthodontics, Denver, Colo), Cu-Ni-Ti 27, Cu-Ni-Ti 35, and Cu-Ni-Ti 40 (SDS/Ormco, Glendora, Calif) products increased at least twofold in stiffness as temperature increased, best emulating the stiffness of Nitinol Classic below the transformational temperature and the stiffness of TMA (SDS/Ormco, Glendora, Calif) above the transformational temperature. Of the 3 Cu-Ni-Ti products, the least differences were found between Cu-Ni-Ti 27 and Cu-Ni-Ti 35, thereby questioning the justification for 3 similar products.

Generic emergence of classical features in quantum Darwinism.

PubMed

Brandão, Fernando G S L; Piani, Marco; Horodecki, Paweł

2015-08-12

Quantum Darwinism posits that only specific information about a quantum system that is redundantly proliferated to many parts of its environment becomes accessible and objective, leading to the emergence of classical reality. However, it is not clear under what conditions this mechanism holds true. Here we prove that the emergence of classical features along the lines of quantum Darwinism is a general feature of any quantum dynamics: observers who acquire information indirectly through the environment have effective access at most to classical information about one and the same measurement of the quantum system. Our analysis does not rely on a strict conceptual splitting between a system-of-interest and its environment, and allows one to interpret any system as part of the environment of any other system. Finally, our approach leads to a full operational characterization of quantum discord in terms of local redistribution of correlations.

Generic emergence of classical features in quantum Darwinism

NASA Astrophysics Data System (ADS)

Brandão, Fernando G. S. L.; Piani, Marco; Horodecki, Paweł

2015-08-01

Quantum Darwinism posits that only specific information about a quantum system that is redundantly proliferated to many parts of its environment becomes accessible and objective, leading to the emergence of classical reality. However, it is not clear under what conditions this mechanism holds true. Here we prove that the emergence of classical features along the lines of quantum Darwinism is a general feature of any quantum dynamics: observers who acquire information indirectly through the environment have effective access at most to classical information about one and the same measurement of the quantum system. Our analysis does not rely on a strict conceptual splitting between a system-of-interest and its environment, and allows one to interpret any system as part of the environment of any other system. Finally, our approach leads to a full operational characterization of quantum discord in terms of local redistribution of correlations.

A comparative study of different methods for calculating electronic transition rates

NASA Astrophysics Data System (ADS)

Kananenka, Alexei A.; Sun, Xiang; Schubert, Alexander; Dunietz, Barry D.; Geva, Eitan

2018-03-01

We present a comprehensive comparison of the following mixed quantum-classical methods for calculating electronic transition rates: (1) nonequilibrium Fermi's golden rule, (2) mixed quantum-classical Liouville method, (3) mean-field (Ehrenfest) mixed quantum-classical method, and (4) fewest switches surface-hopping method (in diabatic and adiabatic representations). The comparison is performed on the Garg-Onuchic-Ambegaokar benchmark charge-transfer model, over a broad range of temperatures and electronic coupling strengths, with different nonequilibrium initial states, in the normal and inverted regimes. Under weak to moderate electronic coupling, the nonequilibrium Fermi's golden rule rates are found to be in good agreement with the rates obtained via the mixed quantum-classical Liouville method that coincides with the fully quantum-mechanically exact results for the model system under study. Our results suggest that the nonequilibrium Fermi's golden rule can serve as an inexpensive yet accurate alternative to Ehrenfest and the fewest switches surface-hopping methods.

[The influence of classical back and neck massage on the functional state of the cardiovascular system and the frequency-time characteristics of its variability in the adolescents].

PubMed

Sibir'ianov, A R; Sergeeva, N V; Podzolko, T Iu

2013-01-01

The present study was designed to study the influence of classical back and neck massage on the functional state of the cardiovascular system and its regulation under conditions of short-term physical loading in the healthy adolescents. It was shown that a course of classical massage promoted the reduction of arterial pressure in all children and the heart rate frequency in the boys. This effect was apparent as a reaction of blood circulation to the dosed physical exercises manifested as a rise in the heart rate frequency and stroke volume. The effects of classical massage were shown to be mediated through the alteration of the levels and mechanisms of regulation of the blood circulatory system and the enhancement of humoral and metabolic segmental sympathetic influences associated with the adaptation to the impact of massage therapy.

Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein

NASA Astrophysics Data System (ADS)

Schubert, Alexander; Falvo, Cyril; Meier, Christoph

2016-08-01

We present mixed quantum-classical simulations on relaxation and dephasing of vibrationally excited carbon monoxide within a protein environment. The methodology is based on a vibrational surface hopping approach treating the vibrational states of CO quantum mechanically, while all remaining degrees of freedom are described by means of classical molecular dynamics. The CO vibrational states form the "surfaces" for the classical trajectories of protein and solvent atoms. In return, environmentally induced non-adiabatic couplings between these states cause transitions describing the vibrational relaxation from first principles. The molecular dynamics simulation yields a detailed atomistic picture of the energy relaxation pathways, taking the molecular structure and dynamics of the protein and its solvent fully into account. Using the ultrafast photolysis of CO in the hemoprotein FixL as an example, we study the relaxation of vibrationally excited CO and evaluate the role of each of the FixL residues forming the heme pocket.

An Integrated Approach to Thermodynamics in the Introductory Physics Course.

ERIC Educational Resources Information Center

Alonso, Marcelo; Finn, Edward J.

1995-01-01

Presents an approach to combine the empirical approach of classical thermodynamics with the structural approach of statistical mechanics. Topics covered include dynamical foundation of the first law; mechanical work, heat, radiation, and the first law; thermal equilibrium; thermal processes; thermodynamic probability; entropy; the second law;…

Nanotechnology for the forest products industry

Treesearch

Theodore Wegner; Philip Jones

2005-01-01

Nanotechnology is defined as the manipulation of materials measuring 100 nanometers or less in at least one dimension. In addition, nanomaterials must display unique properties and characteristics that are different than their bulk properties. At the 1-nanometer (nm) level, quantum mechanics rules, and at dimensions above 100 nm, classical continuum mechanics, physics...

Communicating Physics and the Design of Textbooks.

ERIC Educational Resources Information Center

Barojas, Jorge; Trigueros, Maria

1991-01-01

The planning of an introductory calculus textbook in classical mechanics is shown as an example of an approach to textbook design that uses four main cognitive categories: sources of learning, instruments of learning, processes of knowing, and mechanisms of knowing. The aspects, domains, description, and elements of each section of the textbook…

Active noise canceling system for mechanically cooled germanium radiation detectors

DOEpatents

Nelson, Karl Einar; Burks, Morgan T

2014-04-22

A microphonics noise cancellation system and method for improving the energy resolution for mechanically cooled high-purity Germanium (HPGe) detector systems. A classical adaptive noise canceling digital processing system using an adaptive predictor is used in an MCA to attenuate the microphonics noise source making the system more deployable.

A Simple Relativistic Bohr Atom

ERIC Educational Resources Information Center

Terzis, Andreas F.

2008-01-01

A simple concise relativistic modification of the standard Bohr model for hydrogen-like atoms with circular orbits is presented. As the derivation requires basic knowledge of classical and relativistic mechanics, it can be taught in standard courses in modern physics and introductory quantum mechanics. In addition, it can be shown in a class that…

A Simple Device for Studying the Relativity of Motion

ERIC Educational Resources Information Center

Mayer, V. V.; Varaksina, E. I.

2015-01-01

The fundamentals of classical mechanics are the foundation of more complicated and ingenious physical theories. Therefore, an educational experiment revealing to students the physical nature of mechanical phenomena is important. The effectiveness of this experiment manifoldly increases if students not only perform it by themselves, but also make…

Hermann-Bernoulli-Laplace-Hamilton-Runge-Lenz Vector.

ERIC Educational Resources Information Center

Subramanian, P. R.; And Others

1991-01-01

A way for students to refresh and use their knowledge in both mathematics and physics is presented. By the study of the properties of the "Runge-Lenz" vector the subjects of algebra, analytical geometry, calculus, classical mechanics, differential equations, matrices, quantum mechanics, trigonometry, and vector analysis can be reviewed. (KR)

Developing an Action Concept Inventory

ERIC Educational Resources Information Center

McGinness, Lachlan P.; Savage, C. M.

2016-01-01

We report on progress towards the development of an Action Concept Inventory (ACI), a test that measures student understanding of action principles in introductory mechanics and optics. The ACI also covers key concepts of many-paths quantum mechanics, from which classical action physics arises. We used a multistage iterative development cycle for…

Semiclassical theory of electronically nonadiabatic transitions in molecular collision processes

NASA Technical Reports Server (NTRS)

Lam, K. S.; George, T. F.

1979-01-01

An introductory account of the semiclassical theory of the S-matrix for molecular collision processes is presented, with special emphasis on electronically nonadiabatic transitions. This theory is based on the incorporation of classical mechanics with quantum superposition, and in practice makes use of the analytic continuation of classical mechanics into the complex space of time domain. The relevant concepts of molecular scattering theory and related dynamical models are described and the formalism is developed and illustrated with simple examples - collinear collision of the A+BC type. The theory is then extended to include the effects of laser-induced nonadiabatic transitions. Two bound continuum processes collisional ionization and collision-induced emission also amenable to the same general semiclassical treatment are discussed.

Quantum gas-liquid condensation in an attractive Bose gas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koh, Shun-ichiro

Gas-liquid condensation (GLC) in an attractive Bose gas is studied on the basis of statistical mechanics. Using some results in combinatorial mathematics, the following are derived. (1) With decreasing temperature, the Bose-statistical coherence grows in the many-body wave function, which gives rise to the divergence of the grand partition function prior to Bose-Einstein condensation. It is a quantum-mechanical analogue to the GLC in a classical gas (quantum GLC). (2) This GLC is triggered by the bosons with zero momentum. Compared with the classical GLC, an incomparably weaker attractive force creates it. For the system showing the quantum GLC, we discussmore » a cold helium 4 gas at sufficiently low pressure.« less

Quantum tunneling of oxygen atoms on very cold surfaces.

PubMed

Minissale, M; Congiu, E; Baouche, S; Chaabouni, H; Moudens, A; Dulieu, F; Accolla, M; Cazaux, S; Manicó, G; Pirronello, V

2013-08-02

Any evolving system can change state via thermal mechanisms (hopping a barrier) or via quantum tunneling. Most of the time, efficient classical mechanisms dominate at high temperatures. This is why an increase of the temperature can initiate the chemistry. We present here an experimental investigation of O-atom diffusion and reactivity on water ice. We explore the 6-25 K temperature range at submonolayer surface coverages. We derive the diffusion temperature law and observe the transition from quantum to classical diffusion. Despite the high mass of O, quantum tunneling is efficient even at 6 K. As a consequence, the solid-state astrochemistry of cold regions should be reconsidered and should include the possibility of forming larger organic molecules than previously expected.

Lysine Deacetylases and Regulated Glycolysis in Macrophages.

PubMed

Shakespear, Melanie R; Iyer, Abishek; Cheng, Catherine Youting; Das Gupta, Kaustav; Singhal, Amit; Fairlie, David P; Sweet, Matthew J

2018-06-01

Regulated cellular metabolism has emerged as a fundamental process controlling macrophage functions, but there is still much to uncover about the precise signaling mechanisms involved. Lysine acetylation regulates the activity, stability, and/or localization of metabolic enzymes, as well as inflammatory responses, in macrophages. Two protein families, the classical zinc-dependent histone deacetylases (HDACs) and the NAD-dependent HDACs (sirtuins, SIRTs), mediate lysine deacetylation. We describe here mechanisms by which classical HDACs and SIRTs directly regulate specific glycolytic enzymes, as well as evidence that links these protein deacetylases to the regulation of glycolysis-related genes. In these contexts, we discuss HDACs and SIRTs as key control points for regulating immunometabolism and inflammatory outputs from macrophages. Copyright © 2018 Elsevier Ltd. All rights reserved.

Quantum Image Processing and Its Application to Edge Detection: Theory and Experiment

NASA Astrophysics Data System (ADS)

Yao, Xi-Wei; Wang, Hengyan; Liao, Zeyang; Chen, Ming-Cheng; Pan, Jian; Li, Jun; Zhang, Kechao; Lin, Xingcheng; Wang, Zhehui; Luo, Zhihuang; Zheng, Wenqiang; Li, Jianzhong; Zhao, Meisheng; Peng, Xinhua; Suter, Dieter

2017-07-01

Processing of digital images is continuously gaining in volume and relevance, with concomitant demands on data storage, transmission, and processing power. Encoding the image information in quantum-mechanical systems instead of classical ones and replacing classical with quantum information processing may alleviate some of these challenges. By encoding and processing the image information in quantum-mechanical systems, we here demonstrate the framework of quantum image processing, where a pure quantum state encodes the image information: we encode the pixel values in the probability amplitudes and the pixel positions in the computational basis states. Our quantum image representation reduces the required number of qubits compared to existing implementations, and we present image processing algorithms that provide exponential speed-up over their classical counterparts. For the commonly used task of detecting the edge of an image, we propose and implement a quantum algorithm that completes the task with only one single-qubit operation, independent of the size of the image. This demonstrates the potential of quantum image processing for highly efficient image and video processing in the big data era.

Antigravity Acts on Photons

NASA Astrophysics Data System (ADS)

Brynjolfsson, Ari

2002-04-01

Einstein's general theory of relativity assumes that photons don't change frequency as they move from Sun to Earth. This assumption is correct in classical physics. All experiments proving the general relativity are in the domain of classical physics. This include the tests by Pound et al. of the gravitational redshift of 14.4 keV photons; the rocket experiments by Vessot et al.; the Galileo solar redshift experiments by Krisher et al.; the gravitational deflection of light experiments by Riveros and Vucetich; and delay of echoes of radar signals passing close to Sun as observed by Shapiro et al. Bohr's correspondence principle assures that quantum mechanical theory of general relativity agrees with Einstein's classical theory when frequency and gravitational field gradient approach zero, or when photons cannot interact with the gravitational field. When we treat photons as quantum mechanical particles; we find that gravitational force on photons is reversed (antigravity). This modified theory contradicts the equivalence principle, but is consistent with all experiments. Solar lines and distant stars are redshifted in accordance with author's plasma redshift theory. These changes result in a beautiful consistent cosmology.

Coupled discrete element and finite volume solution of two classical soil mechanics problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Feng; Drumm, Eric; Guiochon, Georges A

One dimensional solutions for the classic critical upward seepage gradient/quick condition and the time rate of consolidation problems are obtained using coupled routines for the finite volume method (FVM) and discrete element method (DEM), and the results compared with the analytical solutions. The two phase flow in a system composed of fluid and solid is simulated with the fluid phase modeled by solving the averaged Navier-Stokes equation using the FVM and the solid phase is modeled using the DEM. A framework is described for the coupling of two open source computer codes: YADE-OpenDEM for the discrete element method and OpenFOAMmore » for the computational fluid dynamics. The particle-fluid interaction is quantified using a semi-empirical relationship proposed by Ergun [12]. The two classical verification problems are used to explore issues encountered when using coupled flow DEM codes, namely, the appropriate time step size for both the fluid and mechanical solution processes, the choice of the viscous damping coefficient, and the number of solid particles per finite fluid volume.« less

Computational algorithms dealing with the classical and statistical mechanics of celestial scale polymers in space elevator technology

NASA Astrophysics Data System (ADS)

Knudsen, Steven; Golubovic, Leonardo

Prospects to build Space Elevator (SE) systems have become realistic with ultra-strong materials such as carbon nano-tubes and diamond nano-threads. At cosmic length-scales, space elevators can be modeled as polymer like floppy strings of tethered mass beads. A new venue in SE science has emerged with the introduction of the Rotating Space Elevator (RSE) concept supported by novel algorithms discussed in this presentation. An RSE is a loopy string reaching into outer space. Unlike the classical geostationary SE concepts of Tsiolkovsky, Artsutanov, and Pearson, our RSE exhibits an internal rotation. Thanks to this, objects sliding along the RSE loop spontaneously oscillate between two turning points, one of which is close to the Earth whereas the other one is in outer space. The RSE concept thus solves a major problem in SE technology which is how to supply energy to the climbers moving along space elevator strings. The investigation of the classical and statistical mechanics of a floppy string interacting with objects sliding along it required development of subtle computational algorithms described in this presentation

Correlated electron-nuclear dissociation dynamics: classical versus quantum motion

NASA Astrophysics Data System (ADS)

Schaupp, Thomas; Albert, Julian; Engel, Volker

2017-01-01

We investigate the coupled electron-nuclear dynamics in a model system which undergoes dissociation. In choosing different initial conditions, the cases of adiabatic and non-adiabatic dissociation are realized. We treat the coupled electronic and nuclear motion in the complete configuration space so that classically, no surface hopping procedures have to be incorporated in the case that more than a single adiabatic electronic state is populated during the fragmentation. Due to the anharmonic interaction potential, it is expected that classical mechanics substantially deviate from quantum mechanics. However, we provide examples where the densities and fragmentation yields obtained from the two treatments are in astonishingly strong agreement in the case that one starts in the electronic ground state initially. As expected, larger deviations are found if one starts in electronically excited states where trajectories are sampled from the more spatially extended electronic wave function. In that case, higher initial energies are accessed, and the motion proceeds in regions with increasing degree of anharmonicity. Contribution to the Topical Issue "Dynamics of Molecular Systems (MOLEC 2016)", edited by Alberto Garcia-Vela, Luis Banares and Maria Luisa Senent.

Classical geometric resolution of the Einstein—Podolsky—Rosen paradox

PubMed Central

Ne'eman, Yuval

1983-01-01

I show that, in the geometry of a fiber bundle describing a gauge theory, curvature and parallel transport ensure and impose nonseparability. The “Einstein—Podolsky—Rosen paradox” is thus resolved “classically.” I conjecture that the ostentatiously “implausible” features of the quantum treatment are due to the fact that space—time separability, a basic assumption of single-particle nonrelativistic quantum mechanics, does not fit the bundle geometry of the complete physics. PMID:16593392

Branched Hamiltonians and supersymmetry

DOE PAGES

Curtright, Thomas L.; Zachos, Cosmas K.

2014-03-21

Some examples of branched Hamiltonians are explored both classically and in the context of quantum mechanics, as recently advocated by Shapere and Wilczek. These are in fact cases of switchback potentials, albeit in momentum space, as previously analyzed for quasi-Hamiltonian chaotic dynamical systems in a classical setting, and as encountered in analogous renormalization group flows for quantum theories which exhibit RG cycles. In conclusion, a basic two-worlds model, with a pair of Hamiltonian branches related by supersymmetry, is considered in detail.

The Physics of Vibration

NASA Astrophysics Data System (ADS)

Pippard, A. B.

1989-11-01

The study of vibration in physical systems is an important part of almost all fields in physics and engineering. This work, originally published in two volumes, examines the classical aspects in Part I and the quantum oscillator in Part II. The classical linear vibrator is treated first and the underlying unity of all linear oscillations in electrical, mechanical and acoustic systems is emphasized. Following this the book turns to the treatment of nonlinear vibrations, a field with which engineers and physicists are generally less familiar. In Part II the emphasis turns to quantum systems, that is those systems which can only be adequately described by quantum mechanics. The treatment concentrates on vibrations in atoms and molecules and their interaction with electromagnetic radiation. The similarities of classical and quantum methods are stressed and the limits of the classical treatment are examined. Throughout the book, each phenomenon discussed is illustrated with many examples and theory and experiment are compared. Although the reader may find that the physics discussed is demanding and the concepts are subtle in places, all mathematics used is familiar to both engineers and experimental scientists. Although not a textbook this is a useful introduction to the more advanced mathematical treatment of vibrations as it bridges the gap between the basic principles and more specialized concepts. It will be of great interest to advanced undergraduates and postgraduates as well as applied mathematicians, physicists and engineers in university and industry.

Role of four-membered rings in C32 fullerene stability and mechanisms of generalized Stone-Wales transformation: a density functional theory investigation.

PubMed

Wang, Weiwei; Dang, Jingshuang; Zhao, Xiang

2011-08-28

Density functional theory (DFT) methods have been applied to study C(32) fullerenes built from four-, five-, and six-membered rings. The relative energies of pure C(32) fullerenes have been evaluated to locate three most stable structures, 32:D(4d) with two squares, 1:D(3) without square and 5:C(s) with one square. Structural analysis reveals that there is a rearrangement pathway between the lowest energy classical isomer 1:D(3) and the lowest energy non-classical isomer 32:D(4d), and 5:C(s) behaves just as an intermediate between them. The kinetic processes of generalized Stone-Wales transformation (GSWT) with four-membered rings have been explored and two distinct reaction mechanisms are determined by all the transition states and intrinsic reaction coordinates with PBE1PBE/6-31G(d) approach for the first time. One mechanism is the concerted reaction with a rotating dimer closed to the cage surface and another is the stepwise reaction with a carbene-like sp(3) structure, whereas the latter is sorted into two paths based on four-membered ring vanishing before or after the formation of the carbene-like structure. It is indicated that there is no absolute preference for any mechanism, which depends on the adaptability of different reactants on the diverse mechanisms. Furthermore, it's found that the interconversion process with the participation of squares is more reactive than the rearrangement between C(60)_I(h) and C(60)_C(2v), implying some potential importance of non-classical small fullerenes in the fullerene isomerization.

Mechanisms of HSP72 release.

PubMed

Asea, Alexzander

2007-04-01

Currently two mechanisms are recognized by which heat shock proteins (HSP) are released from cells; a passive release mechanism, including necrotic cell death, severe blunt trauma, surgery and following infection with lytic viruses, and an active release mechanism which involves the non classical protein release pathway. HSPs are released both as free HSP and within exosomes. This review covers recent findings on the mechanism by which stress induces the release of HSP72 into the circulation and the biological significance of circulating HSP72 to host defense against disease.

Bridging Quantum, Classical and Stochastic Shortcuts to Adiabaticity

NASA Astrophysics Data System (ADS)

Patra, Ayoti

Adiabatic invariants - quantities that are preserved under the slow driving of a system's external parameters - are important in classical mechanics, quantum mechanics and thermodynamics. Adiabatic processes allow a system to be guided to evolve to a desired final state. However, the slow driving of a quantum system makes it vulnerable to environmental decoherence, and for both quantum and classical systems, it is often desirable and time-efficient to speed up a process. Shortcuts to adiabaticity are strategies for preserving adiabatic invariants under rapid driving, typically by means of an auxiliary field that suppresses excitations, otherwise generated during rapid driving. Several theoretical approaches have been developed to construct such shortcuts. In this dissertation we focus on two different approaches, namely counterdiabatic driving and fast-forward driving, which were originally developed for quantum systems. The counterdiabatic approach introduced independently by Dermirplak and Rice [J. Phys. Chem. A, 107:9937, 2003], and Berry [J. Phys. A: Math. Theor., 42:365303, 2009] formally provides an exact expression for the auxiliary Hamiltonian, which however is abstract and difficult to translate into an experimentally implementable form. By contrast, the fast-forward approach developed by Masuda and Nakamura [Proc. R. Soc. A, 466(2116):1135, 2010] provides an auxiliary potential that may be experimentally implementable but generally applies only to ground states. The central theme of this dissertation is that classical shortcuts to adiabaticity can provide useful physical insights and lead to experimentally implementable shortcuts for analogous quantum systems. We start by studying a model system of a tilted piston to provide a proof of principle that quantum shortcuts can successfully be constructed from their classical counterparts. In the remainder of the dissertation, we develop a general approach based on flow-fields which produces simple expressions for auxiliary terms required for both counterdiabatic and fast-forward driving. We demonstrate the applicability of this approach for classical, quantum as well as stochastic systems. We establish strong connections between counterdiabatic and fast-forward approaches, and also between shortcut protocols required for classical, quantum and stochastic systems. In particular, we show how the fast-forward approach can be extended to highly excited states of quantum systems.

Leaky GFD problems

NASA Astrophysics Data System (ADS)

Chumakova, Lyubov; Rzeznik, Andrew; Rosales, Rodolfo R.

2017-11-01

In many dispersive/conservative wave problems, waves carry energy outside of the domain of interest and never return. Inside the domain of interest, this wave leakage acts as an effective dissipation mechanism, causing solutions to decay. In classical geophysical fluid dynamics problems this scenario occurs in the troposphere, if one assumes a homogeneous stratosphere. In this talk we present several classic GFD problems, where we seek the solution in the troposphere alone. Assuming that upward propagating waves that reach the stratosphere never return, we demonstrate how classic baroclinic modes become leaky, with characteristic decay time-scales that can be calculated. We also show how damping due to wave leakage changes the classic baroclinic instability problem in the presence of shear. This presentation is a part of a joint project. The mathematical approach used here relies on extending the classical concept of group velocity to leaky waves with complex wavenumber and frequency, which will be presented at this meeting by A. Rzeznik in the talk ``Group Velocity for Leaky Waves''. This research is funded by the Royal Soc. of Edinburgh, Scottish Government, and NSF.

Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions

PubMed Central

Babbush, Ryan; Parkhill, John; Aspuru-Guzik, Alán

2013-01-01

Feynman and Hibbs were the first to variationally determine an effective potential whose associated classical canonical ensemble approximates the exact quantum partition function. We examine the existence of a map between the local potential and an effective classical potential which matches the exact quantum equilibrium density and partition function. The usefulness of such a mapping rests in its ability to readily improve Born-Oppenheimer potentials for use with classical sampling. We show that such a map is unique and must exist. To explore the feasibility of using this result to improve classical molecular mechanics, we numerically produce a map from a library of randomly generated one-dimensional potential/effective potential pairs then evaluate its performance on independent test problems. We also apply the map to simulate liquid para-hydrogen, finding that the resulting radial pair distribution functions agree well with path integral Monte Carlo simulations. The surprising accessibility and transferability of the technique suggest a quantitative route to adapting Born-Oppenheimer potentials, with a motivation similar in spirit to the powerful ideas and approximations of density functional theory. PMID:24790954

Detecting gravitational decoherence with clocks: Limits on temporal resolution from a classical-channel model of gravity

NASA Astrophysics Data System (ADS)

Khosla, Kiran E.; Altamirano, Natacha

2017-05-01

The notion of time is given a different footing in quantum mechanics and general relativity, treated as a parameter in the former and being an observer-dependent property in the latter. From an operational point of view time is simply the correlation between a system and a clock, where an idealized clock can be modeled as a two-level system. We investigate the dynamics of clocks interacting gravitationally by treating the gravitational interaction as a classical information channel. This model, known as the classical-channel gravity (CCG), postulates that gravity is mediated by a fundamentally classical force carrier and is therefore unable to entangle particles gravitationally. In particular, we focus on the decoherence rates and temporal resolution of arrays of N clocks, showing how the minimum dephasing rate scales with N , and the spatial configuration. Furthermore, we consider the gravitational redshift between a clock and a massive particle and show that a classical-channel model of gravity predicts a finite-dephasing rate from the nonlocal interaction. In our model we obtain a fundamental limitation in time accuracy that is intrinsic to each clock.

Classical Causal Models for Bell and Kochen-Specker Inequality Violations Require Fine-Tuning

NASA Astrophysics Data System (ADS)

Cavalcanti, Eric G.

2018-04-01

Nonlocality and contextuality are at the root of conceptual puzzles in quantum mechanics, and they are key resources for quantum advantage in information-processing tasks. Bell nonlocality is best understood as the incompatibility between quantum correlations and the classical theory of causality, applied to relativistic causal structure. Contextuality, on the other hand, is on a more controversial foundation. In this work, I provide a common conceptual ground between nonlocality and contextuality as violations of classical causality. First, I show that Bell inequalities can be derived solely from the assumptions of no signaling and no fine-tuning of the causal model. This removes two extra assumptions from a recent result from Wood and Spekkens and, remarkably, does not require any assumption related to independence of measurement settings—unlike all other derivations of Bell inequalities. I then introduce a formalism to represent contextuality scenarios within causal models and show that all classical causal models for violations of a Kochen-Specker inequality require fine-tuning. Thus, the quantum violation of classical causality goes beyond the case of spacelike-separated systems and already manifests in scenarios involving single systems.

On the consistency between nearest-neighbor peridynamic discretizations and discretized classical elasticity models

DOE PAGES

Seleson, Pablo; Du, Qiang; Parks, Michael L.

2016-08-16

The peridynamic theory of solid mechanics is a nonlocal reformulation of the classical continuum mechanics theory. At the continuum level, it has been demonstrated that classical (local) elasticity is a special case of peridynamics. Such a connection between these theories has not been extensively explored at the discrete level. This paper investigates the consistency between nearest-neighbor discretizations of linear elastic peridynamic models and finite difference discretizations of the Navier–Cauchy equation of classical elasticity. While nearest-neighbor discretizations in peridynamics have been numerically observed to present grid-dependent crack paths or spurious microcracks, this paper focuses on a different, analytical aspect of suchmore » discretizations. We demonstrate that, even in the absence of cracks, such discretizations may be problematic unless a proper selection of weights is used. Specifically, we demonstrate that using the standard meshfree approach in peridynamics, nearest-neighbor discretizations do not reduce, in general, to discretizations of corresponding classical models. We study nodal-based quadratures for the discretization of peridynamic models, and we derive quadrature weights that result in consistency between nearest-neighbor discretizations of peridynamic models and discretized classical models. The quadrature weights that lead to such consistency are, however, model-/discretization-dependent. We motivate the choice of those quadrature weights through a quadratic approximation of displacement fields. The stability of nearest-neighbor peridynamic schemes is demonstrated through a Fourier mode analysis. Finally, an approach based on a normalization of peridynamic constitutive constants at the discrete level is explored. This approach results in the desired consistency for one-dimensional models, but does not work in higher dimensions. The results of the work presented in this paper suggest that even though nearest-neighbor discretizations should be avoided in peridynamic simulations involving cracks, such discretizations are viable, for example for verification or validation purposes, in problems characterized by smooth deformations. Furthermore, we demonstrate that better quadrature rules in peridynamics can be obtained based on the functional form of solutions.« less

On the Reasonable and Unreasonable Effectiveness of Mathematics in Classical and Quantum Physics

NASA Astrophysics Data System (ADS)

Plotnitsky, Arkady

2011-03-01

The point of departure for this article is Werner Heisenberg's remark, made in 1929: "It is not surprising that our language [or conceptuality] should be incapable of describing processes occurring within atoms, for … it was invented to describe the experiences of daily life, and these consist only of processes involving exceedingly large numbers of atoms. … Fortunately, mathematics is not subject to this limitation, and it has been possible to invent a mathematical scheme—the quantum theory [quantum mechanics]—which seems entirely adequate for the treatment of atomic processes." The cost of this discovery, at least in Heisenberg's and related interpretations of quantum mechanics (such as that of Niels Bohr), is that, in contrast to classical mechanics, the mathematical scheme in question no longer offers a description, even an idealized one, of quantum objects and processes. This scheme only enables predictions, in general, probabilistic in character, of the outcomes of quantum experiments. As a result, a new type of the relationships between mathematics and physics is established, which, in the language of Eugene Wigner adopted in my title, indeed makes the effectiveness of mathematics unreasonable in quantum but, as I shall explain, not in classical physics. The article discusses these new relationships between mathematics and physics in quantum theory and their implications for theoretical physics—past, present, and future.

Fluid overpressures and strength of the sedimentary upper crust

NASA Astrophysics Data System (ADS)

Suppe, John

2014-12-01

The classic crustal strength-depth profile based on rock mechanics predicts a brittle strength σ1 -σ3 = κ(ρbar gz -Pf) that increases linearly with depth as a consequence of [1] the intrinsic brittle pressure dependence κ plus [2] an assumption of hydrostatic pore-fluid pressure, Pf = ρwgz. Many deep borehole stress data agree with a critical state of failure of this form. In contrast, fluid pressures greater than hydrostatic ρbar gz >Pf >ρw gz are normally observed in clastic continental margins and shale-rich mountain belts. Therefore we explore the predicted shapes of strength-depth profiles using data from overpressured regions, especially those dominated by the widespread disequilibrium-compaction mechanism, in which fluid pressures are hydrostatic above the fluid-retention depth zFRD and overpressured below, increasing parallel to the lithostatic gradient ρbar gz . Both brittle crustal strength and frictional fault strength below the zFRD must be constant with depth because effective stress (ρbar gz -Pf) is constant, in contrast with the classic linearly increasing profile. Borehole stress and fluid-pressure measurements in several overpressured deforming continental margins agree with this constant-strength prediction, with the same pressure-dependence κ as the overlying hydrostatic strata. The role of zFRD in critical-taper wedge mechanics and jointing is illustrated. The constant-strength approximation is more appropriate for overpressured crust than classic linearly increasing models.

Integrability versus Thermalizability in Isolated Quantum Systems

NASA Astrophysics Data System (ADS)

Olshanii, Maxim

2012-02-01

The purpose of this presentation is to assess the status of our understanding of the transition from integrability to thermalizability in isolated quantum systems. In Classical Mechanics, the boundary stripe between the two is relatively sharp: its integrability edge is marked by the appearance of finite Lyapunov's exponents that further converge to a unique value when the ergodicity edge is reached. Classical ergodicity is a universal property: if a system is ergodic, then every observable attains its microcanonical value in the infinite time average over the trajectory. On the contrary, in Quantum Mechanics, Lyapunov's exponents are always zero. Furthermore, since quantum dynamics necessarily invokes coherent superpositions of eigenstates of different energy, projectors to the eigenstates become more relevant; those in turn never thermalize. All of the above indicates that in quantum many-body systems, (a) the integrability-thermalizability transition is smooth, and (b) the degree of thermalizability is not absolute like in classical mechanics, but it is relative to the class of observables of interest. In accordance with these observations, we propose a concrete measure of the degree of quantum thermalizability, consistent with the expected empirical manifestations of it. As a practical application of this measure, we devise a unified recipe for choosing an optimal set of conserved quantities to govern the after-relaxation values of observables, in both integrable quantum systems and in quantum systems in between integrable and thermalizable.

Experimental non-classicality of an indivisible quantum system.

PubMed

Lapkiewicz, Radek; Li, Peizhe; Schaeff, Christoph; Langford, Nathan K; Ramelow, Sven; Wieśniak, Marcin; Zeilinger, Anton

2011-06-22

In contrast to classical physics, quantum theory demands that not all properties can be simultaneously well defined; the Heisenberg uncertainty principle is a manifestation of this fact. Alternatives have been explored--notably theories relying on joint probability distributions or non-contextual hidden-variable models, in which the properties of a system are defined independently of their own measurement and any other measurements that are made. Various deep theoretical results imply that such theories are in conflict with quantum mechanics. Simpler cases demonstrating this conflict have been found and tested experimentally with pairs of quantum bits (qubits). Recently, an inequality satisfied by non-contextual hidden-variable models and violated by quantum mechanics for all states of two qubits was introduced and tested experimentally. A single three-state system (a qutrit) is the simplest system in which such a contradiction is possible; moreover, the contradiction cannot result from entanglement between subsystems, because such a three-state system is indivisible. Here we report an experiment with single photonic qutrits which provides evidence that no joint probability distribution describing the outcomes of all possible measurements--and, therefore, no non-contextual theory--can exist. Specifically, we observe a violation of the Bell-type inequality found by Klyachko, Can, Binicioğlu and Shumovsky. Our results illustrate a deep incompatibility between quantum mechanics and classical physics that cannot in any way result from entanglement.

Manipulation of Dirac Cones in Mechanical Graphene

PubMed Central

Kariyado, Toshikaze; Hatsugai, Yasuhiro

2015-01-01

Recently, quantum Hall state analogs in classical mechanics attract much attention from topological points of view. Topology is not only for mathematicians but also quite useful in a quantum world. Further it even governs the Newton’s law of motion. One of the advantages of classical systems over solid state materials is its clear controllability. Here we investigate mechanical graphene, which is a spring-mass model with the honeycomb structure as a typical mechanical model with nontrivial topological phenomena. The vibration spectrum of mechanical graphene is characterized by Dirac cones serving as sources of topological nontriviality. We find that the spectrum has dramatic dependence on the spring tension at equilibrium as a natural control parameter, i.e., creation and annihilation of the Dirac particles are realized as the tension increases. Just by rotating the system, the manipulated Dirac particles lead to topological transition, i.e., a jump of the “Chern number” occurs associated with flipping of propagating direction of chiral edge modes. This is a bulk-edge correspondence governed by the Newton’s law. A simple observation that in-gap edge modes exist only at the fixed boundary, but not at the free one, is attributed to the symmetry protection of topological phases. PMID:26667580

Particle in a Box: An Experiential Environment for Learning Introductory Quantum Mechanics

ERIC Educational Resources Information Center

Anupam, Aditya; Gupta, Ridhima; Naeemi, Azad; JafariNaimi, Nassim

2018-01-01

Quantum mechanics (QMs) is a foundational subject in many science and engineering fields. It is difficult to teach, however, as it requires a fundamental revision of the assumptions and laws of classical physics and probability. Furthermore, introductory QM courses and texts predominantly focus on the mathematical formulations of the subject and…

Quasivelocities and Optimal Control for underactuated Mechanical Systems

NASA Astrophysics Data System (ADS)

Colombo, L.; de Diego, D. Martín

2010-07-01

This paper is concerned with the application of the theory of quasivelocities for optimal control for underactuated mechanical systems. Using this theory, we convert the original problem in a variational second-order lagrangian system subjected to constraints. The equations of motion are geometrically derived using an adaptation of the classical Skinner and Rusk formalism.

A Simple Mnemonic for Tautomerization Mechanisms in Organic Chemistry

ERIC Educational Resources Information Center

Stephens, Chad E.

2010-01-01

The familiar word OREO (as in the cookie) is presented as a simple mnemonic for remembering the basic steps of the classical tautomerization mechanisms in organic chemistry. For acid-catalyzed tautomerizations, OREO stands for proton on, resonance, proton off. For base-catalyzed tautomerizations, OREO stands for proton off, resonance, proton on.…

Quasivelocities and Optimal Control for underactuated Mechanical Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colombo, L.; Martin de Diego, D.

2010-07-28

This paper is concerned with the application of the theory of quasivelocities for optimal control for underactuated mechanical systems. Using this theory, we convert the original problem in a variational second-order lagrangian system subjected to constraints. The equations of motion are geometrically derived using an adaptation of the classical Skinner and Rusk formalism.

Molecular biomarkers of resistance to anti-EGFR treatment in metastatic colorectal cancer, from classical to innovation.

PubMed

Giampieri, Riccardo; Scartozzi, Mario; Del Prete, Michela; Maccaroni, Elena; Bittoni, Alessandro; Faloppi, Luca; Bianconi, Maristella; Cecchini, Luca; Cascinu, Stefano

2013-11-01

Systematic dissection of the EGFR pathway was considered as the best way to identify putative markers of resistance to anti-EGFR therapies. This kind of approach leaves other, less known but by no means less important, putative mechanisms of resistance. We tried to shed some light on these mechanisms of resistance. We performed a research through Pubmed database of all published articles highlighting mechanisms of resistance to Cetuximab and Panitumumab based therapies, published in 2000-2012 period. We reviewed the "classical" molecular factors, extensively analyzed as predictive factors for efficacy to anti-EGFR therapy, such as K-ras, B-raf, and PI3K-mTOR-Akt, focusing on their predictive or prognostic value and on the controversial aspects of the biomarker analysis for clinical practice. On the second part we will then move on to other less known molecular markers, for the future understanding of biological mechanisms underlying anti-EGFR therapy resistance, such as non-canonical heterodimer candidates, microRNA, IGF1-IGF1R, HGF-cMET and secondary mutations of EGFR. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haba, Naoyuki; Ishida, Hiroyuki; Okada, Nobuchika

We suggest the so-called bosonic seesaw mechanism in the context of a classically conformal U(1) B-L extension of the Standard Model with two Higgs doublet fields. The U(1) B-L symmetry is radiatively broken via the Coleman–Weinberg mechanism, which also generates the mass terms for the two Higgs doublets through quartic Higgs couplings. Their masses are all positive but, nevertheless, the electroweak symmetry breaking is realized by the bosonic seesaw mechanism. Analyzing the renormalization group evolutions for all model couplings, we find that a large hierarchy among the quartic Higgs couplings, which is crucial for the bosonic seesaw mechanism to work,more » is dramatically reduced toward high energies. Therefore, the bosonic seesaw is naturally realized with only a mild hierarchy, if some fundamental theory, which provides the origin of the classically conformal invariance, completes our model at some high energy, for example, the Planck scale. In conclusion, we identify the regions of model parameters which satisfy the perturbativity of the running couplings and the electroweak vacuum stability as well as the naturalness of the electroweak scale.« less

Mechanical Properties of Laminate Materials: From Surface Waves to Bloch Oscillations

NASA Astrophysics Data System (ADS)

Liang, Z.; Willatzen, M.; Christensen, J.

2015-10-01

We propose hitherto unexplored and fully analytical insights into laminate elastic materials in a true condensed-matter-physics spirit. Pure mechanical surface waves that decay as evanescent waves from the interface are discussed, and we demonstrate how these designer Scholte waves are controlled by the geometry as opposed to the material alone. The linear surface wave dispersion is modulated by the crystal filling fraction such that the degree of confinement can be engineered without relying on narrow-band resonances but on effective stiffness moduli. In the same context, we provide a theoretical recipe for designing Bloch oscillations in classical plate structures and show how mechanical Bloch oscillations can be generated in arrays of solid plates when the modal wavelength is gradually reduced. The design recipe describes how Bloch oscillations in classical structures of arbitrary dimensions can be generated, and we demonstrate this numerically for structures with millimeter and centimeter dimensions in the kilohertz to megahertz range. Analytical predictions agree entirely with full wave simulations showing how elastodynamics can mimic quantum-mechanical condensed-matter phenomena.

Quantum Hamilton equations of motion for bound states of one-dimensional quantum systems

NASA Astrophysics Data System (ADS)

Köppe, J.; Patzold, M.; Grecksch, W.; Paul, W.

2018-06-01

On the basis of Nelson's stochastic mechanics derivation of the Schrödinger equation, a formal mathematical structure of non-relativistic quantum mechanics equivalent to the one in classical analytical mechanics has been established in the literature. We recently were able to augment this structure by deriving quantum Hamilton equations of motion by finding the Nash equilibrium of a stochastic optimal control problem, which is the generalization of Hamilton's principle of classical mechanics to quantum systems. We showed that these equations allow a description and numerical determination of the ground state of quantum problems without using the Schrödinger equation. We extend this approach here to deliver the complete discrete energy spectrum and related eigenfunctions for bound states of one-dimensional stationary quantum systems. We exemplify this analytically for the one-dimensional harmonic oscillator and numerically by analyzing a quartic double-well potential, a model of broad importance in many areas of physics. We furthermore point out a relation between the tunnel splitting of such models and mean first passage time concepts applied to Nelson's diffusion paths in the ground state.

Subcellular, Cellular and Circuit Mechanisms underlying Classical Conditioning in Hermissenda crassicornis

PubMed Central

2009-01-01

A breakthrough for studying the neuronal basis of learning emerged when invertebrates with simple nervous systems, such as the sea slug Hermissenda crassicornis, were shown to exhibit classical conditioning. Hermissenda learns to associate light with turbulence: prior to learning, naive animals move toward light (phototaxis) and contract their foot in response to turbulence; after learning, conditioned animals delay phototaxis in response to light. The photoreceptors of the eye, which receive monosynaptic inputs from statocyst hair cells, are both sensory neurons and the first site of sensory convergence. The memory of light associated with turbulence is stored as changes in intrinsic and synaptic currents in these photoreceptors. The subcellular mechanisms producing these changes include activation of protein kinase C and MAP kinase, which act as coincidence detectors because they are activated by convergent signaling pathways. Pathways of interneurons and motorneurons, where additional changes in excitability and synaptic connections are found, contribute to delayed phototaxis. Bursting activity recorded at several points suggest the existence of small networks that produce complex spatio-temporal firing patterns. Thus, the change in behavior may be produced by a non-linear transformation of spatio-temporal firing patterns caused by plasticity of synaptic and intrinsic channels. The change in currents and the activation of PKC and MAPK produced by associative learning are similar to that observed in hippocampal and cerebellar neurons after rabbit classical conditioning, suggesting that these represent general mechanisms of memory storage. Thus, the knowledge gained from further study of Hermissenda will continue to illuminate mechanisms of mammalian learning. PMID:16437555

Relativistic kicked rotor.

PubMed

Matrasulov, D U; Milibaeva, G M; Salomov, U R; Sundaram, Bala

2005-07-01

Transport properties in the relativistic analog of the periodically kicked rotor are contrasted under classically and quantum mechanical dynamics. The quantum rotor is treated by solving the Dirac equation in the presence of the time-periodic delta-function potential resulting in a relativistic quantum mapping describing the evolution of the wave function. The transition from the quantum suppression behavior seen in the nonrelativistic limit to agreement between quantum and classical analyses in the relativistic regime is discussed. The absence of quantum resonances in the relativistic case is also addressed.

One-electron propagation in Fermi, Pasta, Ulam disordered chains with Gaussian acoustic pulse pumping

NASA Astrophysics Data System (ADS)

Silva, L. D. Da; Dos Santos, J. L. L.; Ranciaro Neto, A.; Sales, M. O.; de Moura, F. A. B. F.

In this work, we consider a one-electron moving on a Fermi, Pasta, Ulam disordered chain under effect of electron-phonon interaction and a Gaussian acoustic pulse pumping. We describe electronic dynamics using quantum mechanics formalism and the nonlinear atomic vibrations using standard classical physics. Solving numerical equations related to coupled quantum/classical behavior of this system, we study electronic propagation properties. Our calculations suggest that the acoustic pumping associated with the electron-lattice interaction promote a sub-diffusive electronic dynamics.

Quantum optics. Gravity meets quantum physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adams, Bernhard W.

2015-02-27

Albert Einstein’s general theory of relativity is a classical formulation but a quantum mechanical description of gravitational forces is needed, not only to investigate the coupling of classical and quantum systems but simply to give a more complete description of our physical surroundings. In this issue of Nature Photonics, Wen-Te Liao and Sven Ahrens reveal a link between quantum and gravitational physics. They propose that in the quantum-optical effect of superradiance, the world line of electromagnetic radiation is changed by the presence of a gravitational field.

Transfer function modeling of damping mechanisms in viscoelastic plates

NASA Technical Reports Server (NTRS)

Slater, J. C.; Inman, D. J.

1991-01-01

This work formulates a method for the modeling of material damping characteristics in plates. The Sophie German equation of classical plate theory is modified to incorporate hysteresis effects represented by complex stiffness using the transfer function approach proposed by Golla and Hughes, (1985). However, this procedure is not limited to this representation. The governing characteristic equation is decoupled through separation of variables, yielding a solution similar to that of undamped classical plate theory, allowing solution of the steady state as well as the transient response problem.

Spectrum of purpura fulminans: report of three classical prototypes and review of management strategies.

PubMed

Talwar, Ankur; Kumar, Sharath; Gopal, M G; Nandini, A S

2012-01-01

Purpura fulminans is a rare syndrome of intravascular thrombosis and hemorrhagic infarction of the skin that is rapidly progressive and is accompanied by vascular collapse and disseminated intravascular coagulation. It usually occurs in children, but this syndrome has also been noted in adults. The three forms of this disease are classified by the triggering mechanisms. We describe three classical cases of purpura fulminans of the three classical prototypes treated at our center and their varied clinical outcomes. We also describe a case of acute infectious purpura fulminans secondary to systemic leptospirosis which to our best knowledge is the first reported case in world literature. The various treatment options for purpura fulminans have also been reviewed.

Optimal and adaptive methods of processing hydroacoustic signals (review)

NASA Astrophysics Data System (ADS)

Malyshkin, G. S.; Sidel'nikov, G. B.

2014-09-01

Different methods of optimal and adaptive processing of hydroacoustic signals for multipath propagation and scattering are considered. Advantages and drawbacks of the classical adaptive (Capon, MUSIC, and Johnson) algorithms and "fast" projection algorithms are analyzed for the case of multipath propagation and scattering of strong signals. The classical optimal approaches to detecting multipath signals are presented. A mechanism of controlled normalization of strong signals is proposed to automatically detect weak signals. The results of simulating the operation of different detection algorithms for a linear equidistant array under multipath propagation and scattering are presented. An automatic detector is analyzed, which is based on classical or fast projection algorithms, which estimates the background proceeding from median filtering or the method of bilateral spatial contrast.

Lagrangian dynamics for classical, Brownian, and quantum mechanical particles

NASA Astrophysics Data System (ADS)

Pavon, Michele

1996-07-01

In the framework of Nelson's stochastic mechanics [E. Nelson, Dynamical Theories of Brownian Motion (Princeton University, Princeton, 1967); F. Guerra, Phys. Rep. 77, 263 (1981); E. Nelson, Quantum Fluctuations (Princeton University, Princeton, 1985)] we seek to develop the particle counterpart of the hydrodynamic results of M. Pavon [J. Math. Phys. 36, 6774 (1995); Phys. Lett. A 209, 143 (1995)]. In particular, a first form of Hamilton's principle is established. We show that this variational principle leads to the correct equations of motion for the classical particle, the Brownian particle in thermodynamical equilibrium, and the quantum particle. In the latter case, the critical process q satisfies a stochastic Newton law. We then introduce the momentum process p, and show that the pair (q,p) satisfies canonical-like equations.

Violation of the Leggett-Garg Inequality in neutrino oscillations

NASA Astrophysics Data System (ADS)

Weiss, T. E.; Formaggio, J. A.; Kaiser, D. I.; Murskyj, M. M.

2017-09-01

The Leggett-Garg inequality, an analogue of Bell’s inequality involving correlations of measurements on a system at different times, stands as one of the hallmark tests of quantum mechanics against classical predictions. The phenomenon of neutrino oscillations should adhere to quantum-mechanical predictions and provide an observable violation of the Leggett-Garg inequality. We demonstrate how oscillation phenomena can be used to test for violations of the classical bound by performing measurements on an ensemble of neutrinos at distinct energies, as opposed to a single neutrino at distinct times. A study of the MINOS experiment’s data shows a greater than 6σ violation over a distance of 735 km, representing the longest distance over which either the Leggett-Garg inequality or Bell’s inequality has been tested.

Synchronization enhancement of indirectly coupled oscillators via periodic modulation in an optomechanical system.

PubMed

Du, Lei; Fan, Chu-Hui; Zhang, Han-Xiao; Wu, Jin-Hui

2017-11-20

We study the synchronization behaviors of two indirectly coupled mechanical oscillators of different frequencies in a doublecavity optomechanical system. It is found that quantum synchronization is roughly vanishing though classical synchronization seems rather good when each cavity mode is driven by an external field in the absence of temporal modulations. By periodically modulating cavity detunings or driving amplitudes, however, it is possible to observe greatly enhanced quantum synchronization accompanied with nearly perfect classical synchronization. The level of quantum synchronization observed here is, in particular, much higher than that for two directly coupled mechanical oscillators. Note also that the modulation on cavity detunings is more appealing than that on driving amplitudes when the robustness of quantum synchronization is examined against the bath's mean temperature or the oscillators' frequency difference.

Interpreting Quantum Logic as a Pragmatic Structure

NASA Astrophysics Data System (ADS)

Garola, Claudio

2017-12-01

Many scholars maintain that the language of quantum mechanics introduces a quantum notion of truth which is formalized by (standard, sharp) quantum logic and is incompatible with the classical (Tarskian) notion of truth. We show that quantum logic can be identified (up to an equivalence relation) with a fragment of a pragmatic language LGP of assertive formulas, that are justified or unjustified rather than trueor false. Quantum logic can then be interpreted as an algebraic structure that formalizes properties of the notion of empirical justification according to quantum mechanics rather than properties of a quantum notion of truth. This conclusion agrees with a general integrationist perspective that interprets nonstandard logics as theories of metalinguistic notions different from truth, thus avoiding incompatibility with classical notions and preserving the globality of logic.

On a Lagrange-Hamilton formalism describing position and momentum uncertainties

NASA Technical Reports Server (NTRS)

Schuch, Dieter

1993-01-01

According to Heisenberg's uncertainty relation, in quantum mechanics it is not possible to determine, simultaneously, exact values for the position and the momentum of a material system. Calculating the mean value of the Hamiltonian operator with the aid of exact analytic Gaussian wave packet solutions, these uncertainties cause an energy contribution additional to the classical energy of the system. For the harmonic oscillator, e.g., this nonclassical energy represents the ground state energy. It will be shown that this additional energy contribution can be considered as a Hamiltonian function, if it is written in appropriate variables. With the help of the usual Lagrange-Hamilton formalism known from classical particle mechanics, but now considering this new Hamiltonian function, it is possible to obtain the equations of motion for position and momentum uncertainties.

What is Quantum Information?

NASA Astrophysics Data System (ADS)

Lombardi, Olimpia; Fortin, Sebastian; Holik, Federico; López, Cristian

2017-04-01

Preface; Introduction; Part I. About the Concept of Information: 1. About the concept of information Sebastian Fortin and Olimpia Lombardi; 2. Representation, information, and theories of information Armond Duwell; 3. Information, communication, and manipulability Olimpia Lombardi and Cristian López; Part II. Information and quantum mechanics: 4. Quantum versus classical information Jeffrey Bub; 5. Quantum information and locality Dennis Dieks; 6. Pragmatic information in quantum mechanics Juan Roederer; 7. Interpretations of quantum theory: a map of madness Adán Cabello; Part III. Probability, Correlations, and Information: 8. On the tension between ontology and epistemology in quantum probabilities Amit Hagar; 9. Inferential versus dynamical conceptions of physics David Wallace; 10. Classical models for quantum information Federico Holik and Gustavo Martin Bosyk; 11. On the relative character of quantum correlations Guido Bellomo and Ángel Ricardo Plastino; Index.

Molecular mechanisms of multidrug resistance in cancer chemotherapy.

PubMed

Nooter, K; Stoter, G

1996-07-01

The occurrence of multidrug resistance (MDR) is one of the main obstacles in the successful chemotherapeutic treatment of cancer. MDR cell lines are resistant to the so-called naturally occurring anti-cancer drugs, such as anthracyclines, Vinca alkaloids and epipodophyllotoxins, but are not cross-resistant to alkylating agents, antimetabolites and cisplatin. So far, three separate forms of MDR have been characterized in more detail: classical MDR, non-Pgp MDR and atypical MDR. Although all three MDR phenotypes have much in common with respect to cross-resistance patterns, the underlying mechanisms certainly differ. Atypical MDR is associated with quantitative and qualitative alterations in topoisomerase II alpha, a nuclear enzyme that actively participates in the lethal action of cytotoxic drugs. Atypical MDR cells do not overexpress P-glycoprotein, and are unaltered in their ability to accumulate drugs. In this review we will focus on classical and non-Pgp MDR. The molecular mechanism of classical and non-Pgp MDR is transcriptional activation of membrane-bound transport proteins. These transport proteins belong to the ATP-binding cassette (ABC) superfamily of transport systems. The classical MDR phenotype is characterized by a reduced ability to accumulate drugs, due to activity of an energy-dependent uni-directional, membrane-bound, drug-efflux pump with broad substrate specificity. The classical MDR drug pump is composed of a transmembrane glycoprotein (P-glyco-protein-Pgp) with a molecular weight of 170 kD, and is, in man, encoded by the so-called multidrug resistance (MDR1) gene. Typically, non-Pgp MDR has no P-gly-coprotein expression, yet has about the same cross-resistance pattern as classical MDR. This non-Pgp MDR phenotype is caused by overexpression of the multidrug resistance-associated protein (MRP) gene, which encodes a 190 kD membrane-bound glycoprotein (MRP). MRP probably works by direct extrusion of cytotoxic drugs from the cell and/or by mediating sequestration of the drugs into intracellular compartments, both leading to a reduction in effective intracellular drug concentrations. For the classical MDR phenotype, evidence is accumulating that it plays a role indeed, in clinical drug resistance, especially in some hematological malignancies (acute myeloid leukemia, multiple myeloma and non-Hodgkin's lymphoma) and solid tumors (soft tissue sarcomas and neuroblastoma). The association of MRP with clinical drug resistance has not been elaborated, yet, and studies on MRP expression in human cancer have just begun. We found that overexpression of MRP, as determined by RNase protection assay as well as by immunohistochemistry, occurs in several human cancers, among which are cancer of the lung, esophagus, breast and ovary, and leukemias. Further studies are indicated to establish whether elevated MRP expression at diagnosis is an unfavorable prognostic factor for clinical outcome of chemotherapy.

Heisenberg and the Interpretation of Quantum Mechanics

NASA Astrophysics Data System (ADS)

Camilleri, Kristian

2011-09-01

Preface; 1. Introduction; Part I. The Emergence of Quantum Mechanics: 2. Quantum mechanics and the principle of observability; 3. The problem of interpretation; Part II. The Heisenberg-Bohr Dialogue: 4. The wave-particle duality; 5. Indeterminacy and the limits of classical concepts: the turning point in Heisenberg's thought; 6. Heisenberg and Bohr: divergent viewpoints of complementarity; Part III. Heisenberg's Epistemology and Ontology of Quantum Mechanics: 7. The transformation of Kantian philosophy; 8. The linguistic turn in Heisenberg's thought; Conclusion; References; Index.

Heisenberg and the Interpretation of Quantum Mechanics

NASA Astrophysics Data System (ADS)

Camilleri, Kristian

2009-02-01

Preface; 1. Introduction; Part I. The Emergence of Quantum Mechanics: 2. Quantum mechanics and the principle of observability; 3. The problem of interpretation; Part II. The Heisenberg-Bohr Dialogue: 4. The wave-particle duality; 5. Indeterminacy and the limits of classical concepts: the turning point in Heisenberg's thought; 6. Heisenberg and Bohr: divergent viewpoints of complementarity; Part III. Heisenberg's Epistemology and Ontology of Quantum Mechanics: 7. The transformation of Kantian philosophy; 8. The linguistic turn in Heisenberg's thought; Conclusion; References; Index.

Statistical mechanical foundation of the peridynamic nonlocal continuum theory: energy and momentum conservation laws.

PubMed

Lehoucq, R B; Sears, Mark P

2011-09-01

The purpose of this paper is to derive the energy and momentum conservation laws of the peridynamic nonlocal continuum theory using the principles of classical statistical mechanics. The peridynamic laws allow the consideration of discontinuous motion, or deformation, by relying on integral operators. These operators sum forces and power expenditures separated by a finite distance and so represent nonlocal interaction. The integral operators replace the differential divergence operators conventionally used, thereby obviating special treatment at points of discontinuity. The derivation presented employs a general multibody interatomic potential, avoiding the standard assumption of a pairwise decomposition. The integral operators are also expressed in terms of a stress tensor and heat flux vector under the assumption that these fields are differentiable, demonstrating that the classical continuum energy and momentum conservation laws are consequences of the more general peridynamic laws. An important conclusion is that nonlocal interaction is intrinsic to continuum conservation laws when derived using the principles of statistical mechanics.

Insufficiency of the Young’s modulus for illustrating the mechanical behavior of GaN nanowires

NASA Astrophysics Data System (ADS)

Zamani Kouhpanji, Mohammad Reza; Behzadirad, Mahmoud; Feezell, Daniel; Busani, Tito

2018-05-01

We use a non-classical modified couple stress theory including the acceleration gradients (MCST-AG), to precisely demonstrate the size dependency of the mechanical properties of gallium nitride (GaN) nanowires (NWs). The fundamental elastic constants, Young’s modulus and length scales of the GaN NWs were estimated both experimentally, using a novel experimental technique applied to atomic force microscopy, and theoretically, using atomic simulations. The Young’s modulus, static and the dynamic length scales, calculated with the MCST-AG, were found to be 323 GPa, 13 and 14.5 nm, respectively, for GaN NWs from a few nanometers radii to bulk radii. Analyzing the experimental data using the classical continuum theory shows an improvement in the experimental results by introducing smaller error. Using the length scales determined in MCST-AG, we explain the inconsistency of the Young’s moduli reported in recent literature, and we prove the insufficiency of the Young’s modulus for predicting the mechanical behavior of GaN NWs.

Insufficiency of the Young's modulus for illustrating the mechanical behavior of GaN nanowires.

PubMed

Kouhpanji, Mohammad Reza Zamani; Behzadirad, Mahmoud; Feezell, Daniel; Busani, Tito

2018-05-18

We use a non-classical modified couple stress theory including the acceleration gradients (MCST-AG), to precisely demonstrate the size dependency of the mechanical properties of gallium nitride (GaN) nanowires (NWs). The fundamental elastic constants, Young's modulus and length scales of the GaN NWs were estimated both experimentally, using a novel experimental technique applied to atomic force microscopy, and theoretically, using atomic simulations. The Young's modulus, static and the dynamic length scales, calculated with the MCST-AG, were found to be 323 GPa, 13 and 14.5 nm, respectively, for GaN NWs from a few nanometers radii to bulk radii. Analyzing the experimental data using the classical continuum theory shows an improvement in the experimental results by introducing smaller error. Using the length scales determined in MCST-AG, we explain the inconsistency of the Young's moduli reported in recent literature, and we prove the insufficiency of the Young's modulus for predicting the mechanical behavior of GaN NWs.

A Particle Model Explaining Mass and Relativity in a Physical Way

NASA Astrophysics Data System (ADS)

Giese, Albrecht

Physicists' understanding of relativity and the way it is handled is up to present days dominated by the interpretation of Albert Einstein, who related relativity to specific properties of space and time. The principal alternative to Einstein's interpretation is based on a concept proposed by Hendrik A. Lorentz, which uses knowledge of classical physics alone to explain relativistic phenomena. In this paper, we will show that on the one hand the Lorentz-based interpretation provides a simpler mathematical way of arriving at the known results for both Special and General Relativity. On the other hand, it is able to solve problems which have remained open to this day. Furthermore, a particle model will be presented, based on Lorentzian relativity and the quantum mechanical concept of Louis de Broglie, which explains the origin of mass without the use of the Higgs mechanism. It is based on the finiteness of the speed of light and provides classical results for particle properties which are currently only accessible through quantum mechanics.

Nonadiabatic Molecular Dynamics and Orthogonality Constrained Density Functional Theory

NASA Astrophysics Data System (ADS)

Shushkov, Philip Georgiev

The exact quantum dynamics of realistic, multidimensional systems remains a formidable computational challenge. In many chemical processes, however, quantum effects such as tunneling, zero-point energy quantization, and nonadiabatic transitions play an important role. Therefore, approximate approaches that improve on the classical mechanical framework are of special practical interest. We propose a novel ring polymer surface hopping method for the calculation of chemical rate constants. The method blends two approaches, namely ring polymer molecular dynamics that accounts for tunneling and zero-point energy quantization, and surface hopping that incorporates nonadiabatic transitions. We test the method against exact quantum mechanical calculations for a one-dimensional, two-state model system. The method reproduces quite accurately the tunneling contribution to the rate and the distribution of reactants between the electronic states for this model system. Semiclassical instanton theory, an approach related to ring polymer molecular dynamics, accounts for tunneling by the use of periodic classical trajectories on the inverted potential energy surface. We study a model of electron transfer in solution, a chemical process where nonadiabatic events are prominent. By representing the tunneling electron with a ring polymer, we derive Marcus theory of electron transfer from semiclassical instanton theory after a careful analysis of the tunneling mode. We demonstrate that semiclassical instanton theory can recover the limit of Fermi's Golden Rule rate in a low-temperature, deep-tunneling regime. Mixed quantum-classical dynamics treats a few important degrees of freedom quantum mechanically, while classical mechanics describes affordably the rest of the system. But the interface of quantum and classical description is a challenging theoretical problem, especially for low-energy chemical processes. We therefore focus on the semiclassical limit of the coupled nuclear-electronic dynamics. We show that the time-dependent Schrodinger equation for the electrons employed in the widely used fewest switches surface hopping method is applicable only in the limit of nearly identical classical trajectories on the different potential energy surfaces. We propose a short-time decoupling algorithm that restricts the use of the Schrodinger equation only to the interaction regions. We test the short-time approximation on three model systems against exact quantum-mechanical calculations. The approximation improves the performance of the surface hopping approach. Nonadiabatic molecular dynamics simulations require the efficient and accurate computation of ground and excited state potential energy surfaces. Unlike the ground state calculations where standard methods exist, the computation of excited state properties is a challenging task. We employ time-independent density functional theory, in which the excited state energy is represented as a functional of the total density. We suggest an adiabatic-like approximation that simplifies the excited state exchange-correlation functional. We also derive a set of minimal conditions to impose exactly the orthogonality of the excited state Kohn-Sham determinant to the ground state determinant. This leads to an efficient, variational algorithm for the self-consistent optimization of the excited state energy. Finally, we assess the quality of the excitation energies obtained by the new method on a set of 28 organic molecules. The new approach provides results of similar accuracy to time-dependent density functional theory.

Estrogens Induce Rapid Cytoskeleton Re-Organization in Human Dermal Fibroblasts via the Non-Classical Receptor GPR30

PubMed Central

Carnesecchi, Julie; Malbouyres, Marilyne; de Mets, Richard; Balland, Martial; Beauchef, Gallic; Vié, Katell; Chamot, Christophe; Lionnet, Claire; Ruggiero, Florence; Vanacker, Jean-Marc

2015-01-01

The post-menopausal decrease in estrogen circulating levels results in rapid skin deterioration pointing out to a protective effect exerted by these hormones. The identity of the skin cell type responding to estrogens is unclear as are the cellular and molecular processes they elicit. Here, we reported that lack of estrogens induces rapid re-organization of the human dermal fibroblast cytoskeleton resulting in striking cell shape change. This morphological change was accompanied by a spatial re-organization of focal adhesion and a substantial reduction of their number as evidenced by vinculin and actin co-staining. Cell morphology and cytoskeleton organization was fully restored upon 17β-estradiol (E2) addition. Treatment with specific ER antagonists and cycloheximide respectively showed that the E2 acts independently of the classical Estrogen Receptors and that cell shape change is mediated by non-genomic mechanisms. E2 treatment resulted in a rapid and transient activation of ERK1/2 but not Src or PI3K. We show that human fibroblasts express the non-classical E2 receptor GPR30 and that its agonist G-1 phenocopies the effect of E2. Inhibiting GPR30 through treatment with the G-15 antagonist or specific shRNA impaired E2 effects. Altogether, our data reveal a novel mechanism by which estrogens act on skin fibroblast by regulating cell shape through the non-classical G protein-coupled receptor GPR30 and ERK1/2 activation. PMID:25781607

Estrogens induce rapid cytoskeleton re-organization in human dermal fibroblasts via the non-classical receptor GPR30.

PubMed

Carnesecchi, Julie; Malbouyres, Marilyne; de Mets, Richard; Balland, Martial; Beauchef, Gallic; Vié, Katell; Chamot, Christophe; Lionnet, Claire; Ruggiero, Florence; Vanacker, Jean-Marc

2015-01-01

The post-menopausal decrease in estrogen circulating levels results in rapid skin deterioration pointing out to a protective effect exerted by these hormones. The identity of the skin cell type responding to estrogens is unclear as are the cellular and molecular processes they elicit. Here, we reported that lack of estrogens induces rapid re-organization of the human dermal fibroblast cytoskeleton resulting in striking cell shape change. This morphological change was accompanied by a spatial re-organization of focal adhesion and a substantial reduction of their number as evidenced by vinculin and actin co-staining. Cell morphology and cytoskeleton organization was fully restored upon 17β-estradiol (E2) addition. Treatment with specific ER antagonists and cycloheximide respectively showed that the E2 acts independently of the classical Estrogen Receptors and that cell shape change is mediated by non-genomic mechanisms. E2 treatment resulted in a rapid and transient activation of ERK1/2 but not Src or PI3K. We show that human fibroblasts express the non-classical E2 receptor GPR30 and that its agonist G-1 phenocopies the effect of E2. Inhibiting GPR30 through treatment with the G-15 antagonist or specific shRNA impaired E2 effects. Altogether, our data reveal a novel mechanism by which estrogens act on skin fibroblast by regulating cell shape through the non-classical G protein-coupled receptor GPR30 and ERK1/2 activation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fedorenko, V.K.; Sergeev, V.V.; Shkanov, I.N.

The influence of the structural, phase, and size factors, and the bonding of hard tungsten alloys to titanium alloy bases on the mechanism by which the system fails under alternating loads is studied. The failure mechanism of materials with detonation coatings applied by different methods is discussed in regard to the classical sequence of fatigue phenomena, i.e., hardening-softening and crack nucleation and growth.

The Double-Well Potential in Quantum Mechanics: A Simple, Numerically Exact Formulation

ERIC Educational Resources Information Center

Jelic, V.; Marsiglio, F.

2012-01-01

The double-well potential is arguably one of the most important potentials in quantum mechanics, because the solution contains the notion of a state as a linear superposition of "classical" states, a concept which has become very important in quantum information theory. It is therefore desirable to have solutions to simple double-well potentials…

A Formal Derivation of the Gibbs Entropy for Classical Systems Following the Schrodinger Quantum Mechanical Approach

ERIC Educational Resources Information Center

Santillan, M.; Zeron, E. S.; Del Rio-Correa, J. L.

2008-01-01

In the traditional statistical mechanics textbooks, the entropy concept is first introduced for the microcanonical ensemble and then extended to the canonical and grand-canonical cases. However, in the authors' experience, this procedure makes it difficult for the student to see the bigger picture and, although quite ingenuous, the subtleness of…

Racemization of Isobornyl Chloride via Carbocations: A Nonclassical Look at a Classic Mechanism

ERIC Educational Resources Information Center

Rzepa, Henry S.; Allan, Charlotte S. M.

2010-01-01

Our understanding of carbonium ions as intermediates in chemical reaction mechanisms derives from the early work of Julius Stieglitz and the more famous Hans Meerwein, the latter studying the racemization of isobornyl chloride when treated with Lewis acids. This review analyzes how key mechanistic concepts for this reaction evolved and gives the…

Local U(2,2) symmetry in relativistic quantum mechanics

NASA Astrophysics Data System (ADS)

Finster, Felix

1998-12-01

Local gauge freedom in relativistic quantum mechanics is derived from a measurement principle for space and time. For the Dirac equation, one obtains local U(2,2) gauge transformations acting on the spinor index of the wave functions. This local U(2,2) symmetry allows a unified description of electrodynamics and general relativity as a classical gauge theory.

Classical and sequential limit analysis revisited

NASA Astrophysics Data System (ADS)

Leblond, Jean-Baptiste; Kondo, Djimédo; Morin, Léo; Remmal, Almahdi

2018-04-01

Classical limit analysis applies to ideal plastic materials, and within a linearized geometrical framework implying small displacements and strains. Sequential limit analysis was proposed as a heuristic extension to materials exhibiting strain hardening, and within a fully general geometrical framework involving large displacements and strains. The purpose of this paper is to study and clearly state the precise conditions permitting such an extension. This is done by comparing the evolution equations of the full elastic-plastic problem, the equations of classical limit analysis, and those of sequential limit analysis. The main conclusion is that, whereas classical limit analysis applies to materials exhibiting elasticity - in the absence of hardening and within a linearized geometrical framework -, sequential limit analysis, to be applicable, strictly prohibits the presence of elasticity - although it tolerates strain hardening and large displacements and strains. For a given mechanical situation, the relevance of sequential limit analysis therefore essentially depends upon the importance of the elastic-plastic coupling in the specific case considered.

Generalized probability theories: what determines the structure of quantum theory?

NASA Astrophysics Data System (ADS)

Janotta, Peter; Hinrichsen, Haye

2014-08-01

The framework of generalized probabilistic theories is a powerful tool for studying the foundations of quantum physics. It provides the basis for a variety of recent findings that significantly improve our understanding of the rich physical structure of quantum theory. This review paper tries to present the framework and recent results to a broader readership in an accessible manner. To achieve this, we follow a constructive approach. Starting from a few basic physically motivated assumptions we show how a given set of observations can be manifested in an operational theory. Furthermore, we characterize consistency conditions limiting the range of possible extensions. In this framework classical and quantum theory appear as special cases, and the aim is to understand what distinguishes quantum mechanics as the fundamental theory realized in nature. It turns out that non-classical features of single systems can equivalently result from higher-dimensional classical theories that have been restricted. Entanglement and non-locality, however, are shown to be genuine non-classical features.

Quantum localization for a kicked rotor with accelerator mode islands.

PubMed

Iomin, A; Fishman, S; Zaslavsky, G M

2002-03-01

Dynamical localization of classical superdiffusion for the quantum kicked rotor is studied in the semiclassical limit. Both classical and quantum dynamics of the system become more complicated under the conditions of mixed phase space with accelerator mode islands. Recently, long time quantum flights due to the accelerator mode islands have been found. By exploration of their dynamics, it is shown here that the classical-quantum duality of the flights leads to their localization. The classical mechanism of superdiffusion is due to accelerator mode dynamics, while quantum tunneling suppresses the superdiffusion and leads to localization of the wave function. Coupling of the regular type dynamics inside the accelerator mode island structures to dynamics in the chaotic sea proves increasing the localization length. A numerical procedure and an analytical method are developed to obtain an estimate of the localization length which, as it is shown, has exponentially large scaling with the dimensionless Planck's constant (tilde)h<1 in the semiclassical limit. Conditions for the validity of the developed method are specified.

Therapeutic mechanisms of classic hallucinogens in the treatment of addictions: from indirect evidence to testable hypotheses.

PubMed

Bogenschutz, Michael P; Pommy, Jessica M

2012-01-01

Alcohol and drug addiction are major public health problems, and existing treatments are only moderately effective. Although there has been interest for over half a century in the therapeutic use of classic hallucinogens to treat addictions, clinical research with these drugs was halted at an early stage in the early 1970s, leaving many fundamental questions unanswered. In the past two decades, clinical research on classic hallucinogens has resumed, although addiction treatment trials are only now beginning. The purpose of this paper is to provide a targeted review of the research most relevant to the therapeutic potential of hallucinogens, and to integrate this information with current thinking about addiction and recovery. On the basis of this information, we present a heuristic model which organizes a number of hypotheses that may be tested in future research. We conclude that existing evidence provides a convincing rationale for further research on the effects of classic hallucinogens in the treatment of addiction. Copyright © 2012 John Wiley & Sons, Ltd.

Mixed quantum-classical simulations of the vibrational relaxation of photolyzed carbon monoxide in a hemoprotein

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schubert, Alexander, E-mail: schubert@irsamc.ups-tlse.fr; Meier, Christoph; Falvo, Cyril

2016-08-07

We present mixed quantum-classical simulations on relaxation and dephasing of vibrationally excited carbon monoxide within a protein environment. The methodology is based on a vibrational surface hopping approach treating the vibrational states of CO quantum mechanically, while all remaining degrees of freedom are described by means of classical molecular dynamics. The CO vibrational states form the “surfaces” for the classical trajectories of protein and solvent atoms. In return, environmentally induced non-adiabatic couplings between these states cause transitions describing the vibrational relaxation from first principles. The molecular dynamics simulation yields a detailed atomistic picture of the energy relaxation pathways, taking themore » molecular structure and dynamics of the protein and its solvent fully into account. Using the ultrafast photolysis of CO in the hemoprotein FixL as an example, we study the relaxation of vibrationally excited CO and evaluate the role of each of the FixL residues forming the heme pocket.« less

Entanglement conservation, ER=EPR, and a new classical area theorem for wormholes

DOE PAGES

Remmen, Grant N.; Bao, Ning; Pollack, Jason

2016-07-11

We consider the question of entanglement conservation in the context of the ER=EPR correspondence equating quantum entanglement with wormholes. In quantum mechanics, the entanglement between a system and its complement is conserved under unitary operations that act independently on each; ER=EPR suggests that an analogous statement should hold for wormholes. We accordingly prove a new area theorem in general relativity: for a collection of dynamical wormholes and black holes in a spacetime satisfying the null curvature condition, the maximin area for a subset of the horizons (giving the largest area attained by the minimal cross section of the multi-wormhole throatmore » separating the subset from its complement) is invariant under classical time evolution along the outermost apparent horizons. The evolution can be completely general, including horizon mergers and the addition of classical matter satisfying the null energy condition. In conclusion, this theorem is the gravitational dual of entanglement conservation and thus constitutes an explicit characterization of the ER=EPR duality in the classical limit.« less

Entanglement conservation, ER=EPR, and a new classical area theorem for wormholes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remmen, Grant N.; Bao, Ning; Pollack, Jason

We consider the question of entanglement conservation in the context of the ER=EPR correspondence equating quantum entanglement with wormholes. In quantum mechanics, the entanglement between a system and its complement is conserved under unitary operations that act independently on each; ER=EPR suggests that an analogous statement should hold for wormholes. We accordingly prove a new area theorem in general relativity: for a collection of dynamical wormholes and black holes in a spacetime satisfying the null curvature condition, the maximin area for a subset of the horizons (giving the largest area attained by the minimal cross section of the multi-wormhole throatmore » separating the subset from its complement) is invariant under classical time evolution along the outermost apparent horizons. The evolution can be completely general, including horizon mergers and the addition of classical matter satisfying the null energy condition. In conclusion, this theorem is the gravitational dual of entanglement conservation and thus constitutes an explicit characterization of the ER=EPR duality in the classical limit.« less

Using harmonic oscillators to determine the spot size of Hermite-Gaussian laser beams

NASA Technical Reports Server (NTRS)

Steely, Sidney L.

1993-01-01

The similarity of the functional forms of quantum mechanical harmonic oscillators and the modes of Hermite-Gaussian laser beams is illustrated. This functional similarity provides a direct correlation to investigate the spot size of large-order mode Hermite-Gaussian laser beams. The classical limits of a corresponding two-dimensional harmonic oscillator provide a definition of the spot size of Hermite-Gaussian laser beams. The classical limits of the harmonic oscillator provide integration limits for the photon probability densities of the laser beam modes to determine the fraction of photons detected therein. Mathematica is used to integrate the probability densities for large-order beam modes and to illustrate the functional similarities. The probabilities of detecting photons within the classical limits of Hermite-Gaussian laser beams asymptotically approach unity in the limit of large-order modes, in agreement with the Correspondence Principle. The classical limits for large-order modes include all of the nodes for Hermite Gaussian laser beams; Sturm's theorem provides a direct proof.

Canonical partition functions: ideal quantum gases, interacting classical gases, and interacting quantum gases

NASA Astrophysics Data System (ADS)

Zhou, Chi-Chun; Dai, Wu-Sheng

2018-02-01

In statistical mechanics, for a system with a fixed number of particles, e.g. a finite-size system, strictly speaking, the thermodynamic quantity needs to be calculated in the canonical ensemble. Nevertheless, the calculation of the canonical partition function is difficult. In this paper, based on the mathematical theory of the symmetric function, we suggest a method for the calculation of the canonical partition function of ideal quantum gases, including ideal Bose, Fermi, and Gentile gases. Moreover, we express the canonical partition functions of interacting classical and quantum gases given by the classical and quantum cluster expansion methods in terms of the Bell polynomial in mathematics. The virial coefficients of ideal Bose, Fermi, and Gentile gases are calculated from the exact canonical partition function. The virial coefficients of interacting classical and quantum gases are calculated from the canonical partition function by using the expansion of the Bell polynomial, rather than calculated from the grand canonical potential.

A Classical Based Derivation of Time Dilation Providing First Order Accuracy to Schwarzschild's Solution of Einstein's Field Equations

NASA Astrophysics Data System (ADS)

Austin, Rickey W.

In Einstein's theory of Special Relativity (SR), one method to derive relativistic kinetic energy is via applying the classical work-energy theorem to relativistic momentum. This approach starts with a classical based work-energy theorem and applies SR's momentum to the derivation. One outcome of this derivation is relativistic kinetic energy. From this derivation, it is rather straight forward to form a kinetic energy based time dilation function. In the derivation of General Relativity a common approach is to bypass classical laws as a starting point. Instead a rigorous development of differential geometry and Riemannian space is constructed, from which classical based laws are derived. This is in contrast to SR's approach of starting with classical laws and applying the consequences of the universal speed of light by all observers. A possible method to derive time dilation due to Newtonian gravitational potential energy (NGPE) is to apply SR's approach to deriving relativistic kinetic energy. It will be shown this method gives a first order accuracy compared to Schwarzschild's metric. The SR's kinetic energy and the newly derived NGPE derivation are combined to form a Riemannian metric based on these two energies. A geodesic is derived and calculations compared to Schwarzschild's geodesic for an orbiting test mass about a central, non-rotating, non-charged massive body. The new metric results in high accuracy calculations when compared to Einsteins General Relativity's prediction. The new method provides a candidate approach for starting with classical laws and deriving General Relativity effects. This approach mimics SR's method of starting with classical mechanics when deriving relativistic equations. As a compliment to introducing General Relativity, it provides a plausible scaffolding method from classical physics when teaching introductory General Relativity. A straight forward path from classical laws to General Relativity will be derived. This derivation provides a minimum first order accuracy to Schwarzschild's solution to Einstein's field equations.

Black hole evaporation, quantum hair and supertranslations

NASA Astrophysics Data System (ADS)

Gómez, César; Zell, Sebastian

2018-04-01

In a black hole, hair and quantum information retrieval are interrelated phenomena. The existence of any new form of hair necessarily implies the existence of features in the quantum-mechanically evaporated radiation. Therefore, classical supertranslation hair can be only distinguished from global diffeomorphisms if we have access to the interior of the black hole. Indirect information on the interior can only be obtained from the features of the quantum evaporation. We demonstrate that supertranslations (T^-,T^+) \\in BMS-⊗ BMS+ can be used as bookkeepers of the probability distributions of the emitted quanta where the first element describes the classical injection of energy and the second one is associated to quantum-mechanical emission. However, the connection between T^- and T^+ is determined by the interior quantum dynamics of the black hole. We argue that restricting to the diagonal subgroup is only possible for decoupled modes, which do not bring any non-trivial information about the black hole interior and therefore do not constitute physical hair. It is shown that this is also true for gravitational systems without horizon, for which both injection and emission can be described classically. Moreover, we discuss and clarify the role of infrared physics in purification.

Quantum Foundations of Quantum Information

NASA Astrophysics Data System (ADS)

Griffiths, Robert

2009-03-01

The main foundational issue for quantum information is: What is quantum information about? What does it refer to? Classical information typically refers to physical properties, and since classical is a subset of quantum information (assuming the world is quantum mechanical), quantum information should--and, it will be argued, does--refer to quantum physical properties represented by projectors on appropriate subspaces of a quantum Hilbert space. All sorts of microscopic and macroscopic properties, not just measurement outcomes, can be represented in this way, and are thus a proper subject of quantum information. The Stern-Gerlach experiment illustrates this. When properties are compatible, which is to say their projectors commute, Shannon's classical information theory based on statistical correlations extends without difficulty or change to the quantum case. When projectors do not commute, giving rise to characteristic quantum effects, a foundation for the subject can still be constructed by replacing the ``measurement and wave-function collapse'' found in textbooks--an efficient calculational tool, but one giving rise to numerous conceptual difficulties--with a fully consistent and paradox free stochastic formulation of standard quantum mechanics. This formulation is particularly helpful in that it contains no nonlocal superluminal influences; the reason the latter carry no information is that they do not exist.

Head-twitch response in rodents induced by the hallucinogen 2,5-dimethoxy-4-iodoamphetamine: a comprehensive history, a re-evaluation of mechanisms, and its utility as a model

PubMed Central

Canal, Clint E.; Morgan, Drake

2013-01-01

Two primary animal models persist for assessing hallucinogenic potential of novel compounds and for examining the pharmacological and neurobiological substrates underlying the actions of classical hallucinogens, the two-lever drug discrimination procedure and the drug-induced head-twitch response (HTR) in rodents. The substituted amphetamine hallucinogen, serotonin 2 (5-HT2) receptor agonist, 2,5-dimethoxy-4-iodoamphetamine (DOI) has emerged as the most popular pharmacological tool used in HTR studies of hallucinogens. Synthesizing classic, recent, and relatively overlooked findings, addressing ostensibly conflicting observations, and considering contemporary theories in receptor and behavioural pharmacology, this review provides an up-to-date and comprehensive synopsis of DOI and the HTR model, from neural mechanisms to utility for understanding psychiatric diseases. Also presented is support for the argument that, although both the two-lever drug discrimination and the HTR models in rodents are useful for uncovering receptors, interacting proteins, intracellular signalling pathways, and neurochemical processes affected by DOI and related classical hallucinogens, results from both models suggest they are not reporting hallucinogenic experiences in animals. PMID:22517680

Cryptococcus neoformans-induced macrophage lysosome damage crucially contributes to fungal virulence1

PubMed Central

Davis, Michael J.; Eastman, Alison J.; Qiu, Yafeng; Gregorka, Brian; Kozel, Thomas R.; Osterholzer, John J.; Curtis, Jeffrey L.; Swanson, Joel A.; Olszewski, Michal A.

2015-01-01

Upon ingestion by macrophages, Cryptococcus neoformans (Cn) can survive and replicate intracellularly unless the macrophages become classically activated. The mechanism enabling intracellular replication is not fully understood; neither are the mechanisms which allow classical activation to counteract replication. Cn-induced lysosome damage was observed in infected murine bone marrow-derived macrophages, increased with time and required yeast viability. To demonstrate lysosome damage in the infected host, we developed a novel flow-cytometric method for measuring lysosome damage. Increased lysosome damage was found in Cn-containing lung cells compared to Cn–free cells. Among Cn-containing myeloid cells, recently recruited cells displayed lower damage than resident cells, consistent with the protective role of recruited macrophages. The magnitude of lysosome damage correlated with increased Cn replication. Experimental induction of lysosome damage increased Cn replication. Activation of macrophages with IFN-γ abolished macrophage lysosome damage and enabled increased killing of Cn. We conclude that induction of lysosome damage is an important Cn survival strategy and that classical activation of host macrophages counters replication by preventing damage. Thus, therapeutic strategies which decrease lysosomal damage, or increase resistance to such damage, could be valuable in treating cryptococcal infections. PMID:25637026

A shape dynamical approach to holographic renormalization

NASA Astrophysics Data System (ADS)

Gomes, Henrique; Gryb, Sean; Koslowski, Tim; Mercati, Flavio; Smolin, Lee

2015-01-01

We provide a bottom-up argument to derive some known results from holographic renormalization using the classical bulk-bulk equivalence of General Relativity and Shape Dynamics, a theory with spatial conformal (Weyl) invariance. The purpose of this paper is twofold: (1) to advertise the simple classical mechanism, trading off gauge symmetries, that underlies the bulk-bulk equivalence of General Relativity and Shape Dynamics to readers interested in dualities of the type of AdS/conformal field theory (CFT); and (2) to highlight that this mechanism can be used to explain certain results of holographic renormalization, providing an alternative to the AdS/CFT conjecture for these cases. To make contact with the usual semiclassical AdS/CFT correspondence, we provide, in addition, a heuristic argument that makes it plausible that the classical equivalence between General Relativity and Shape Dynamics turns into a duality between radial evolution in gravity and the renormalization group flow of a CFT. We believe that Shape Dynamics provides a new perspective on gravity by giving conformal structure a primary role within the theory. It is hoped that this work provides the first steps toward understanding what this new perspective may be able to teach us about holographic dualities.

Emerging interpretations of quantum mechanics and recent progress in quantum measurement

NASA Astrophysics Data System (ADS)

Clarke, M. L.

2014-01-01

The focus of this paper is to provide a brief discussion on the quantum measurement process, by reviewing select examples highlighting recent progress towards its understanding. The areas explored include an outline of the measurement problem, the standard interpretation of quantum mechanics, quantum to classical transition, types of measurement (including weak and projective measurements) and newly emerging interpretations of quantum mechanics (decoherence theory, objective reality, quantum Darwinism and quantum Bayesianism).

A postulated mechanism that leads to materialization and dematerialization of matter and to antigravity. Technical report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bearden, T.E.

1975-10-08

This report presents a discussion of the postulated mechanism that leads to the materialization and dematerialization of matter and to antigravity. The mechanism also explains why an orbital electron does not radiate energy, in contradiction to classical electromagnetic theory. One of the paradoxes of special relativity is explained. A new model of a photon is advanced. The relativistic increase of mass with velocity is explained. (GRA)

Unraveling Quantum Annealers using Classical Hardness

PubMed Central

Martin-Mayor, Victor; Hen, Itay

2015-01-01

Recent advances in quantum technology have led to the development and manufacturing of experimental programmable quantum annealing optimizers that contain hundreds of quantum bits. These optimizers, commonly referred to as ‘D-Wave’ chips, promise to solve practical optimization problems potentially faster than conventional ‘classical’ computers. Attempts to quantify the quantum nature of these chips have been met with both excitement and skepticism but have also brought up numerous fundamental questions pertaining to the distinguishability of experimental quantum annealers from their classical thermal counterparts. Inspired by recent results in spin-glass theory that recognize ‘temperature chaos’ as the underlying mechanism responsible for the computational intractability of hard optimization problems, we devise a general method to quantify the performance of quantum annealers on optimization problems suffering from varying degrees of temperature chaos: A superior performance of quantum annealers over classical algorithms on these may allude to the role that quantum effects play in providing speedup. We utilize our method to experimentally study the D-Wave Two chip on different temperature-chaotic problems and find, surprisingly, that its performance scales unfavorably as compared to several analogous classical algorithms. We detect, quantify and discuss several purely classical effects that possibly mask the quantum behavior of the chip. PMID:26483257

Renin-angiotensin system: an old player with novel functions in skeletal muscle.

PubMed

Cabello-Verrugio, Claudio; Morales, María Gabriela; Rivera, Juan Carlos; Cabrera, Daniel; Simon, Felipe

2015-05-01

Skeletal muscle is a tissue that shows the most plasticity in the body; it can change in response to physiological and pathological stimuli. Among the diseases that affect skeletal muscle are myopathy-associated fibrosis, insulin resistance, and muscle atrophy. A common factor in these pathologies is the participation of the renin-angiotensin system (RAS). This system can be functionally separated into the classical and nonclassical RAS axis. The main components of the classical RAS pathway are angiotensin-converting enzyme (ACE), angiotensin II (Ang-II), and Ang-II receptors (AT receptors), whereas the nonclassical axis is composed of ACE2, angiotensin 1-7 [Ang (1-7)], and the Mas receptor. Hyperactivity of the classical axis in skeletal muscle has been associated with insulin resistance, atrophy, and fibrosis. In contrast, current evidence supports the action of the nonclassical RAS as a counter-regulator axis of the classical RAS pathway in skeletal muscle. In this review, we describe the mechanisms involved in the pathological effects of the classical RAS, advances in the use of pharmacological molecules to inhibit this axis, and the beneficial effects of stimulation of the nonclassical RAS pathway on insulin resistance, atrophy, and fibrosis in skeletal muscle. © 2015 Wiley Periodicals, Inc.

A model for explaining fusion suppression using classical trajectory method

NASA Astrophysics Data System (ADS)

Phookan, C. K.; Kalita, K.

2015-01-01

We adopt a semi-classical approach for explanation of projectile breakup and above barrier fusion suppression for the reactions 6Li+152Sm and 6Li+144Sm. The cut-off impact parameter for fusion is determined by employing quantum mechanical ideas. Within this cut-off impact parameter for fusion, the fraction of projectiles undergoing breakup is determined using the method of classical trajectory in two-dimensions. For obtaining the initial conditions of the equations of motion, a simplified model of the 6Li nucleus has been proposed. We introduce a simple formula for explanation of fusion suppression. We find excellent agreement between the experimental and calculated fusion cross section. A slight modification of the above formula for fusion suppression is also proposed for a three-dimensional model.

Quantum-Like Representation of Non-Bayesian Inference

NASA Astrophysics Data System (ADS)

Asano, M.; Basieva, I.; Khrennikov, A.; Ohya, M.; Tanaka, Y.

2013-01-01

This research is related to the problem of "irrational decision making or inference" that have been discussed in cognitive psychology. There are some experimental studies, and these statistical data cannot be described by classical probability theory. The process of decision making generating these data cannot be reduced to the classical Bayesian inference. For this problem, a number of quantum-like coginitive models of decision making was proposed. Our previous work represented in a natural way the classical Bayesian inference in the frame work of quantum mechanics. By using this representation, in this paper, we try to discuss the non-Bayesian (irrational) inference that is biased by effects like the quantum interference. Further, we describe "psychological factor" disturbing "rationality" as an "environment" correlating with the "main system" of usual Bayesian inference.

The near demise and subsequent revival of classical genetics for investigating Caenorhabditis elegans embryogenesis: RNAi meets next-generation DNA sequencing.

PubMed

Bowerman, Bruce

2011-10-01

Molecular genetic investigation of the early Caenorhabditis elegans embryo has contributed substantially to the discovery and general understanding of the genes, pathways, and mechanisms that regulate and execute developmental and cell biological processes. Initially, worm geneticists relied exclusively on a classical genetics approach, isolating mutants with interesting phenotypes after mutagenesis and then determining the identity of the affected genes. Subsequently, the discovery of RNA interference (RNAi) led to a much greater reliance on a reverse genetics approach: reducing the function of known genes with RNAi and then observing the phenotypic consequences. Now the advent of next-generation DNA sequencing technologies and the ensuing ease and affordability of whole-genome sequencing are reviving the use of classical genetics to investigate early C. elegans embryogenesis.

(Never) Mind your p's and q's: Von Neumann versus Jordan on the foundations of quantum theory

NASA Astrophysics Data System (ADS)

Duncan, A.; Janssen, M.

2013-03-01

In 1927, in two papers entitled "On a new foundation [Neue Begründung] of quantum mechanics," Pascual Jordan presented his version of what came to be known as the Dirac-Jordan statistical transformation theory. Jordan and Paul Dirac arrived at essentially the same theory independently of one another at around the same time. Later in 1927, partly in response to Jordan and Dirac and avoiding the mathematical difficulties facing their approach, John von Neumann developed the modern Hilbert space formalism of quantum mechanics. We focus on Jordan and von Neumann. Central to the formalisms of both are expressions for conditional probabilities of finding some value for one quantity given the value of another. Beyond that Jordan and von Neumann had very different views about the appropriate formulation of problems in quantum mechanics. For Jordan, unable to let go of the analogy to classical mechanics, the solution of such problems required the identification of sets of canonically conjugate variables, i.e., p's and q's. For von Neumann, not constrained by the analogy to classical mechanics, it required only the identification of a maximal set of commuting operators with simultaneous eigenstates. He had no need for p's and q's. Jordan and von Neumann also stated the characteristic new rules for probabilities in quantum mechanics somewhat differently. Jordan and Dirac were the first to state those rules in full generality. Von Neumann rephrased them and, in a paper published a few months later, sought to derive them from more basic considerations. In this paper we reconstruct the central arguments of these 1927 papers by Jordan and von Neumann and of a paper on Jordan's approach by Hilbert, von Neumann, and Nordheim. We highlight those elements in these papers that bring out the gradual loosening of the ties between the new quantum formalism and classical mechanics. This paper was written as part of a joint project in the history of quantum physics of the Max Planck Institut für Wissenschaftsgeschichte and the Fritz-Haber-Institut in Berlin.

Quantum physics in neuroscience and psychology: A neurophysicalmodel of the mind/brain interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwartz, Jeffrey M.; Stapp, Henry P.; Beauregard, Mario

Neuropsychological research on the neural basis of behavior generally posits that brain mechanisms will ultimately suffice to explain all psychologically described phenomena. This assumption stems from the idea that the brain is made up entirely of material particles and fields, and that all causal mechanisms relevant to neuroscience can therefore be formulated solely in terms of properties of these elements. Thus terms having intrinsic mentalistic and/or experiential content (e.g., ''feeling,'' ''knowing,'' and ''effort'') are not included as primary causal factors. This theoretical restriction is motivated primarily by ideas about the natural world that have been known to be fundamentally incorrectmore » for more than three quarters of a century. Contemporary basic physical theory differs profoundly from classical physics on the important matter of how the consciousness of human agents enters into the structure of empirical phenomena. The new principles contradict the older idea that local mechanical processes alone can account for the structure of all observed empirical data. Contemporary physical theory brings directly and irreducibly into the overall causal structure certain psychologically described choices made by human agents about how they will act. This key development in basic physical theory is applicable to neuroscience, and it provides neuroscientists and psychologists with an alternative conceptual framework for describing neural processes. Indeed, due to certain structural features of ion channels critical to synaptic function, contemporary physical theory must in principle be used when analyzing human brain dynamics. The new framework, unlike its classical-physics-based predecessor is erected directly upon, and is compatible with, the prevailing principles of physics, and is able to represent more adequately than classical concepts the neuroplastic mechanisms relevant to the growing number of empirical studies of the capacity of directed attention and mental effort to systematically alter brain function.« less

Dual mechanism of brain injury and novel treatment strategy in maple syrup urine disease.

PubMed

Zinnanti, William J; Lazovic, Jelena; Griffin, Kathleen; Skvorak, Kristen J; Paul, Harbhajan S; Homanics, Gregg E; Bewley, Maria C; Cheng, Keith C; Lanoue, Kathryn F; Flanagan, John M

2009-04-01

Maple syrup urine disease (MSUD) is an inherited disorder of branched-chain amino acid metabolism presenting with life-threatening cerebral oedema and dysmyelination in affected individuals. Treatment requires life-long dietary restriction and monitoring of branched-chain amino acids to avoid brain injury. Despite careful management, children commonly suffer metabolic decompensation in the context of catabolic stress associated with non-specific illness. The mechanisms underlying this decompensation and brain injury are poorly understood. Using recently developed mouse models of classic and intermediate maple syrup urine disease, we assessed biochemical, behavioural and neuropathological changes that occurred during encephalopathy in these mice. Here, we show that rapid brain leucine accumulation displaces other essential amino acids resulting in neurotransmitter depletion and disruption of normal brain growth and development. A novel approach of administering norleucine to heterozygous mothers of classic maple syrup urine disease pups reduced branched-chain amino acid accumulation in milk as well as blood and brain of these pups to enhance survival. Similarly, norleucine substantially delayed encephalopathy in intermediate maple syrup urine disease mice placed on a high protein diet that mimics the catabolic stress shown to cause encephalopathy in human maple syrup urine disease. Current findings suggest two converging mechanisms of brain injury in maple syrup urine disease including: (i) neurotransmitter deficiencies and growth restriction associated with branched-chain amino acid accumulation and (ii) energy deprivation through Krebs cycle disruption associated with branched-chain ketoacid accumulation. Both classic and intermediate models appear to be useful to study the mechanism of brain injury and potential treatment strategies for maple syrup urine disease. Norleucine should be further tested as a potential treatment to prevent encephalopathy in children with maple syrup urine disease during catabolic stress.

Quantum physics in neuroscience and psychology: a neurophysical model of mind–brain interaction

PubMed Central

Schwartz, Jeffrey M; Stapp, Henry P; Beauregard, Mario

2005-01-01

Neuropsychological research on the neural basis of behaviour generally posits that brain mechanisms will ultimately suffice to explain all psychologically described phenomena. This assumption stems from the idea that the brain is made up entirely of material particles and fields, and that all causal mechanisms relevant to neuroscience can therefore be formulated solely in terms of properties of these elements. Thus, terms having intrinsic mentalistic and/or experiential content (e.g. ‘feeling’, ‘knowing’ and ‘effort’) are not included as primary causal factors. This theoretical restriction is motivated primarily by ideas about the natural world that have been known to be fundamentally incorrect for more than three-quarters of a century. Contemporary basic physical theory differs profoundly from classic physics on the important matter of how the consciousness of human agents enters into the structure of empirical phenomena. The new principles contradict the older idea that local mechanical processes alone can account for the structure of all observed empirical data. Contemporary physical theory brings directly and irreducibly into the overall causal structure certain psychologically described choices made by human agents about how they will act. This key development in basic physical theory is applicable to neuroscience, and it provides neuroscientists and psychologists with an alternative conceptual framework for describing neural processes. Indeed, owing to certain structural features of ion channels critical to synaptic function, contemporary physical theory must in principle be used when analysing human brain dynamics. The new framework, unlike its classic-physics-based predecessor, is erected directly upon, and is compatible with, the prevailing principles of physics. It is able to represent more adequately than classic concepts the neuroplastic mechanisms relevant to the growing number of empirical studies of the capacity of directed attention and mental effort to systematically alter brain function. PMID:16147524

Tunnel determinants from spectral zeta functions. Instanton effects in quantum mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Izquierdo, A. Alonso; Guilarte, J. Mateos

2014-07-23

In this paper we develop an spectral zeta function regularization procedure on the determinants of instanton fluctuation operators that describe the semi-classical order of tunnel effects between degenerate vacua.

Coherence and decoherence in the brain

NASA Astrophysics Data System (ADS)

Hepp, K.

2012-09-01

This review provides many entry points to controversies in neuroscience, where input from mathematical physics could be fruitful, especially about coherence and decoherence in the brain, both on the level of classical and quantum mechanics.

On the Ising character of the quantum-phase transition in LiHoF4

NASA Astrophysics Data System (ADS)

Skomski, R.

2016-05-01

It is investigated how a transverse magnetic field affects the quantum-mechanical character of LiHoF4, a system generally considered as a textbook example for an Ising-like quantum-phase transition. In small magnetic fields, the low-temperature behavior of the ions is Ising-like, involving the nearly degenerate low-lying Jz = ± 8 doublet. However, as the transverse field increases, there is a substantial admixture of states having |Jz| < 8. Near the quantum-phase-transition field, the system is distinctively non-Ising like, and all Jz eigenstates yield ground-state contributions of comparable magnitude. A classical analog to this mechanism is the micromagnetic single point in magnets with uniaxial anisotropy. Since Ho3+ has J = 8, the ion's behavior is reminiscent of the classical limit (J = ∞), but quantum corrections remain clearly visible.

Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations

NASA Technical Reports Server (NTRS)

Kikuchi, Hideaki; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki; Saini, Subhash

2003-01-01

Scalability of a low-cost, Intel Xeon-based, multi-Teraflop Linux cluster is tested for two high-end scientific applications: Classical atomistic simulation based on the molecular dynamics method and quantum mechanical calculation based on the density functional theory. These scalable parallel applications use space-time multiresolution algorithms and feature computational-space decomposition, wavelet-based adaptive load balancing, and spacefilling-curve-based data compression for scalable I/O. Comparative performance tests are performed on a 1,024-processor Linux cluster and a conventional higher-end parallel supercomputer, 1,184-processor IBM SP4. The results show that the performance of the Linux cluster is comparable to that of the SP4. We also study various effects, such as the sharing of memory and L2 cache among processors, on the performance.

Un-renormalized classical electromagnetism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ibison, Michael

2006-02-15

This paper follows in the tradition of direct-action versions of electromagnetism having the aim of avoiding a balance of infinities wherein a mechanical mass offsets an infinite electromagnetic mass so as to arrive at a finite observed value. However, the direct-action approach ultimately failed in that respect because its initial exclusion of self-action was later found to be untenable in the relativistic domain. Pursing the same end, this paper examines instead a version of electromagnetism wherein mechanical action is excluded and self-action is retained. It is shown that the resulting theory is effectively interacting due to the presence of infinitemore » forces. A vehicle for the investigation is a pair of classical point charges in a positronium-like arrangement for which the orbits are found to be self-sustaining and naturally quantized.« less

Cracking and aromatization of C{sub 6}-C{sub 10} n-alkanes and n-alkenes on a zeolite-containing catalyst

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gairbekov, T.M.; Takaeva, M.I.; Khadzhiev, S.N.

1992-05-10

Despite the extensive studies on catalysis on zeolites, the question of the mechanism of the reactions of cracking and aromatization of hydrocarbons is still debated. The classic Whitmore theory hypothesizes that cracking of alkanes and alkenes takes place through the formation of the same intermediate trivalent carbenium ions of the (C{sub n}H{sub 2n+1}){sup +} type. Ola`s protolytic mechanism hypothesizes nonclassic five- (four-)coordinated ions of the (C{sub n}H{sub 2n+3}){sup +} type for cracking of alkanes and classic carbenium ions for alkenes. When the classic mechanism occurs on zeolites, an analogous effect on the rate of the reactions of alkanes and alkenesmore » with the molecular weight of the starting hydrocarbons and similar compositions of the products obtained should be predicted. The authors investigated the transformation of individual n-alkanes and n-1-alkenes of C{sub 6}-C{sub 10} composition in the presence of a catalyst synthesized by addition of 30 wt.% decationized ultrahigh-silicon zeolite of the ZSM type (Si/Al - 16) modified with 1 wt.% zinc on {gamma}-Al{sub 2}O{sub 3}. The experiment was conducted on a flow-type laboratory setup at 425{degrees}C in conditions of the minimum effect of diffusion factors with the method described in detail previously. 13 refs., 4 figs., 1 tab.« less

There may be Fermi Energy levels in the hollow interiors of Nanotubes that would allow for a type of Quantum

NASA Astrophysics Data System (ADS)

Kriske, Richard

2011-04-01

There may be Fermi Energy levels that would allow for easy travel by Atoms, Molecules and Particles, in the hollow interior of Nanotubes. This may result in a Quantum Mechanical explaination of Capillary Action, and it may result in devices could take advantage of the idea that it takes no energy to rise in a Capillary tube, only in leaving it. This no-energy conjecture of Capillarity sounds very much like the idea that Electrons in obitals lose no Energy staying in orbit, only in changing orbits.It is this conjecture that may reveal that a Fermi Energy state is essentially in a weak orbital. This weak orbital could be exploited to store Anti-matter for instance. More profoundly it clearly shows how the Quantum Mechanical states meld smoothly into Classical Physics. It also reveals how extremely efficient Classical Machines could be constructed to take advantage of this spontaneous action. Say a tube could be designed to nudge electrons out of a weak obital in one place, sent down the tube (which is another weak orbital) and deposited in a weak orbital of another very distant Atom, apparently with little or perhaps no work being done, as long as the orbitals are the same energy. This may already exist in some Biological systems. Although more experimentation is needed, this would be the breakthrough that is needed to unify Classical and Quantum Mechanics.

Stereodynamics in NO(X) + Ar inelastic collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brouard, M., E-mail: mark.brouard@chem.ox.ac.uk; Chadwick, H.; Gordon, S. D. S.

2016-06-14

The effect of orientation of the NO(X) bond axis prior to rotationally inelastic collisions with Ar has been investigated experimentally and theoretically. A modification to conventional velocity-map imaging ion optics is described, which allows the orientation of hexapole state-selected NO(X) using a static electric field, followed by velocity map imaging of the resonantly ionized scattered products. Bond orientation resolved differential cross sections are measured experimentally for a series of spin-orbit conserving transitions and compared with quantum mechanical calculations. The agreement between experimental results and those from quantum mechanical calculations is generally good. Parity pairs, which have previously been observed inmore » collisions of unpolarized NO with various rare gases, are not observed due to the coherent superposition of the two j = 1/2, Ω = 1/2 Λ-doublet levels in the orienting field. The normalized difference differential cross sections are found to depend predominantly on the final rotational state, and are not very sensitive to the final Λ-doublet level. The differential steric effect has also been investigated theoretically, by means of quantum mechanical and classical calculations. Classically, the differential steric effect can be understood by considering the steric requirement for different types of trajectories that contribute to different regions of the differential cross section. However, classical effects cannot account quantitatively for the differential steric asymmetry observed in NO(X) + Ar collisions, which reflects quantum interference from scattering at either end of the molecule. This quantum interference effect is dominated by the repulsive region of the potential.« less

Dynamics of miRNA biogenesis and nuclear transport.

PubMed

Kotipalli, Aneesh; Gutti, Ravikumar; Mitra, Chanchal K

2016-12-01

MicroRNAs (miRNAs) are short noncoding RNA sequences ~22 nucleotides in length that play an important role in gene regulation-transcription and translation. The processing of these miRNAs takes place in both the nucleus and the cytoplasm while the final maturation occurs in the cytoplasm. Some mature miRNAs with nuclear localisation signals (NLS) are transported back to the nucleus and some remain in the cytoplasm. The functional roles of these miRNAs are seen in both the nucleus and the cytoplasm. In the nucleus, miRNAs regulate gene expression by binding to the targeted promoter sequences and affect either the transcriptional gene silencing (TGS) or transcriptional gene activation (TGA). In the cytoplasm, targeted mRNAs are translationally repressed or cleaved based on the complementarity between the two sequences at the seed region of miRNA and mRNA. The selective transport of mature miRNAs to the nucleus follows the classical nuclear import mechanism. The classical nuclear import mechanism is a highly regulated process, involving exportins and importins. The nuclear pore complex (NPC) regulates all these transport events like a gate keeper. The half-life of miRNAs is rather low, so within a short time miRNAs perform their function. Temporal studies of miRNA biogenesis are, therefore, useful. We have carried out simulation studies for important miRNA biogenesis steps and also classical nuclear import mechanism using ordinary differential equation (ODE) solver in the Octave software.

Dynamics of miRNA biogenesis and nuclear transport.

PubMed

Kotipalli, Aneesh; Gutti, Ravikumar; Mitra, Chanchal K

2016-12-22

MicroRNAs (miRNAs) are short noncoding RNA sequences ~22 nucleotides in length that play an important role in gene regulation-transcription and translation. The processing of these miRNAs takes place in both the nucleus and the cytoplasm while the final maturation occurs in the cytoplasm. Some mature miRNAs with nuclear localisation signals (NLS) are transported back to the nucleus and some remain in the cytoplasm. The functional roles of these miRNAs are seen in both the nucleus and the cytoplasm. In the nucleus, miRNAs regulate gene expression by binding to the targeted promoter sequences and affect either the transcriptional gene silencing (TGS) or transcriptional gene activation (TGA). In the cytoplasm, targeted mRNAs are translationally repressed or cleaved based on the complementarity between the two sequences at the seed region of miRNA and mRNA. The selective transport of mature miRNAs to the nucleus follows the classical nuclear import mechanism. The classical nuclear import mechanism is a highly regulated process, involving exportins and importins. The nuclear pore complex (NPC) regulates all these transport events like a gate keeper. The half-life of miRNAs is rather low, so within a short time miRNAs perform their function. Temporal studies of miRNA biogenesis are, therefore, useful. We have carried out simulation studies for important miRNA biogenesis steps and also classical nuclear import mechanism using ordinary differential equation (ODE) solver in the Octave software.

Synthesis of Polyferrocenylsilane Block Copolymers and their Crystallization-Driven Self-Assembly in Protic Solvents

NASA Astrophysics Data System (ADS)

Zhou, Hang

Quantum walks are the quantum mechanical analogue of classical random walks. Discrete-time quantum walks have been introduced and studied mostly on the line Z or higher dimensional space Zd but rarely defined on graphs with fractal dimensions because the coin operator depends on the position and the Fourier transform on the fractals is not defined. Inspired by its nature of classical walks, different quantum walks will be defined by choosing different shift and coin operators. When the coin operator is uniform, the results of classical walks will be obtained upon measurement at each step. Moreover, with measurement at each step, our results reveal more information about the classical random walks. In this dissertation, two graphs with fractal dimensions will be considered. The first one is Sierpinski gasket, a degree-4 regular graph with Hausdorff dimension of df = ln 3/ ln 2. The second is the Cantor graph derived like Cantor set, with Hausdorff dimension of df = ln 2/ ln 3. The definitions and amplitude functions of the quantum walks will be introduced. The main part of this dissertation is to derive a recursive formula to compute the amplitude Green function. The exiting probability will be computed and compared with the classical results. When the generation of graphs goes to infinity, the recursion of the walks will be investigated and the convergence rates will be obtained and compared with the classical counterparts.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gevorkyan, A. S., E-mail: g-ashot@sci.am; Sahakyan, V. V.

We study the classical 1D Heisenberg spin glasses in the framework of nearest-neighboring model. Based on the Hamilton equations we obtained the system of recurrence equations which allows to perform node-by-node calculations of a spin-chain. It is shown that calculations from the first principles of classical mechanics lead to ℕℙ hard problem, that however in the limit of the statistical equilibrium can be calculated by ℙ algorithm. For the partition function of the ensemble a new representation is offered in the form of one-dimensional integral of spin-chains’ energy distribution.

Inhibition of quantum transport due to 'scars' of unstable periodic orbits

NASA Technical Reports Server (NTRS)

Jensen, R. V.; Sanders, M. M.; Saraceno, M.; Sundaram, B.

1989-01-01

A new quantum mechanism for the suppression of chaotic ionization of highly excited hydrogen atoms explains the appearance of anomalously stable states in the microwave ionization experiments of Koch et al. A novel phase-space representation of the perturbed wave functions reveals that the inhibition of quantum transport is due to the selective excitation of wave functions that are highly localized near unstable periodic orbits in the chaotic classical phase space. The 'scarred' wave functions provide a new basis for the quantum description of a variety of classically chaotic systems.

The probabilistic origin of Bell's inequality

NASA Technical Reports Server (NTRS)

Krenn, Guenther

1994-01-01

The concept of local realism entails certain restrictions concerning the possible occurrence of correlated events. Although these restrictions are inherent in classical physics they have never been noticed until Bell showed in 1964 that general correlations in quantum mechanics can not be interpreted in a classical way. We demonstrate how a local realistic way of thinking about measurement results necessarily leads to limitations with regard to the possible appearance of correlated events. These limitations, which are equivalent to Bell's inequality can be easily formulated as an immediate consequence of our discussion.

Localization by bichromatic potentials versus Anderson localization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Albert, Mathias; Leboeuf, Patricio

The one-dimensional propagation of waves in a bichromatic potential may be modeled by the Aubry-Andre Hamiltonian. This, in turn, presents a localization transition that has been observed in recent experiments using ultracold atoms or light. It is shown here that, in contrast to the Anderson model, the localization mechanism has a classical origin, namely it is not due to a quantum suppression of a classically allowed transport process, but rather is produced by a trapping by the potential. Explicit comparisons with the Anderson model as well as with experiments are presented.

Kuang's Semi-Classical Formalism for Calculating Electron Capture Cross Sections: A Space- Physics Application

NASA Technical Reports Server (NTRS)

Barghouty, A. F.

2014-01-01

Accurate estimates of electroncapture cross sections at energies relevant to the modeling of the transport, acceleration, and interaction of energetic neutral atoms (ENA) in space (approximately few MeV per nucleon) and especially for multi-electron ions must rely on detailed, but computationally expensive, quantum-mechanical description of the collision process. Kuang's semi-classical approach is an elegant and efficient way to arrive at these estimates. Motivated by ENA modeling efforts for apace applications, we shall briefly present this approach along with sample applications and report on current progress.

Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase.

PubMed

Heinrich, Daniel; Diederichsen, Ulf; Rudolph, Markus Georg

2009-07-06

Orotidine-5'-monophosphate decarboxylase (OMPD) catalyzes the decarboxylation of orotidine-5'-monophosphate (OMP) to uridine-5'-monophosphate (UMP) in an extremely proficient manner. The reaction does not require any cofactors and proceeds by an unknown mechanism. In addition to decarboxylation, OMPD is able to catalyze other reactions. We show that several C6-substituted UMP derivatives undergo hydrolysis or substitution reactions that depend on a lysine residue (Lys314) in the OMPD active site. 6-Cyano-UMP is converted to UMP, and UMP derivatives with good leaving groups inhibit OMPD by a suicide mechanism in which Lys314 covalently binds to the substrate. These non-classical reactivities of human OMPD were characterized by cocrystallization and freeze-trapping experiments with wild-type OMPD and two active-site mutants by using substrate and inhibitor nucleotides. The structures show that the C6-substituents are not coplanar with the pyrimidine ring. The extent of this substrate distortion is a function of the substituent geometry. Structure-based mechanisms for the reaction of 6-substituted UMP derivatives are extracted in accordance with results from mutagenesis, mass spectrometry, and OMPD enzyme activity. The Lys314-based mechanisms explain the chemodiversity of OMPD, and offer a strategy to design mechanism-based inhibitors that could be used for antineoplastic purposes for example.

Quantum mechanics from Newton's second law and the canonical commutation relation [X, P] = i

NASA Astrophysics Data System (ADS)

Palenik, Mark C.

2014-07-01

Despite the fact that it has been known since the time of Heisenberg that quantum operators obey a quantum version of Newton's laws, students are often told that derivations of quantum mechanics must necessarily follow from the Hamiltonian or Lagrangian formulations of mechanics. Here, we first derive the existing Heisenberg equations of motion from Newton's laws and the uncertainty principle using only the equations F=\\frac{dP}{dt}, P=m\\frac{dV}{dt}, and [X, P] = i. Then, a new expression for the propagator is derived that makes a connection between time evolution in quantum mechanics and the motion of a classical particle under Newton's laws. The propagator is solved for three cases where an exact solution is possible: (1) the free particle; (2) the harmonic oscillator; and (3) a constant force, or linear potential in the standard interpretation. We then show that for a general for a general force F(X), by Taylor expanding X(t) in time, we can use this methodology to reproduce the Feynman path integral formula for the propagator. Such a picture may be useful for students as they make the transition from classical to quantum mechanics and help solidify the equivalence of the Hamiltonian, Lagrangian, and Newtonian pictures of physics in their minds.

A multiscale quantum mechanics/electromagnetics method for device simulations.

PubMed

Yam, ChiYung; Meng, Lingyi; Zhang, Yu; Chen, GuanHua

2015-04-07

Multiscale modeling has become a popular tool for research applying to different areas including materials science, microelectronics, biology, chemistry, etc. In this tutorial review, we describe a newly developed multiscale computational method, incorporating quantum mechanics into electronic device modeling with the electromagnetic environment included through classical electrodynamics. In the quantum mechanics/electromagnetics (QM/EM) method, the regions of the system where active electron scattering processes take place are treated quantum mechanically, while the surroundings are described by Maxwell's equations and a semiclassical drift-diffusion model. The QM model and the EM model are solved, respectively, in different regions of the system in a self-consistent manner. Potential distributions and current densities at the interface between QM and EM regions are employed as the boundary conditions for the quantum mechanical and electromagnetic simulations, respectively. The method is illustrated in the simulation of several realistic systems. In the case of junctionless field-effect transistors, transfer characteristics are obtained and a good agreement between experiments and simulations is achieved. Optical properties of a tandem photovoltaic cell are studied and the simulations demonstrate that multiple QM regions are coupled through the classical EM model. Finally, the study of a carbon nanotube-based molecular device shows the accuracy and efficiency of the QM/EM method.

Effective equations for the quantum pendulum from momentous quantum mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hernandez, Hector H.; Chacon-Acosta, Guillermo; Departamento de Matematicas Aplicadas y Sistemas, Universidad Autonoma Metropolitana-Cuajimalpa, Artificios 40, Mexico D. F. 01120

In this work we study the quantum pendulum within the framework of momentous quantum mechanics. This description replaces the Schroedinger equation for the quantum evolution of the system with an infinite set of classical equations for expectation values of configuration variables, and quantum dispersions. We solve numerically the effective equations up to the second order, and describe its evolution.

Investigating Quantum Mechanical Tunneling at the Nanoscale via Analogy: Development and Assessment of a Teaching Tool for Upper-Division Chemistry

ERIC Educational Resources Information Center

Muniz, Marc N.; Oliver-Hoyo, Maria T.

2014-01-01

We report a novel educational activity designed to teach quantum mechanical tunneling to upper-division undergraduate students in the context of nanochemistry. The activity is based on a theoretical framework for analogy and is split into three parts that are linked pedagogically through the framework: classical ball-and-ramp system, tunneling…

Mechanism of Urea Crystal Dissolution in Water from Molecular Dynamics Simulation.

PubMed

Anand, Abhinav; Patey, G N

2018-01-25

Molecular dynamics simulations are used to determine the mechanism of urea crystal dissolution in water under sink conditions. Crystals of cubic and tablet shapes are considered, and results are reported for four commonly used water models. The dissolution rates for different water models can differ considerably, but the overall dissolution mechanism remains the same. Urea dissolution occurs in three stages: a relatively fast initial stage, a slower intermediate stage, and a final stage. We show that the long intermediate stage is well described by classical rate laws, which assume that the dissolution rate is proportional to the active surface area. By carrying out simulations at different temperatures, we show that urea dissolution is an activated process, with an activation energy of ∼32 kJ mol -1 . Our simulations give no indication of a significant diffusion layer, and we conclude that the detachment of molecules from the crystal is the rate-determining step for dissolution. The results we report for urea are consistent with earlier observations for the dissolution of NaCl crystals. This suggests that the three-stage mechanism and classical rate laws might apply to the dissolution of other ionic and molecular crystals.

Hsp72 release: mechanisms and methodologies.

PubMed

Asea, Alexzander

2007-11-01

To date there are two mechanisms that are recognized by which heat shock proteins (HSP) are released from cells; a passive release mechanism, including necrotic cell death, severe blunt trauma, surgery and following infection with lytic viruses, and an active release mechanism which involves the non classical protein release pathway in which HSPs are released within highly immunologically potent exosomes and as free HSP. This chapter describes the experimental procedures that have been developed to study the mechanism by which stress induces the release of HSP72 into the circulation and addresses the biological significance of circulating HSP72 to host defense against disease.

Time-dependent perturbation of a two-state quantum mechanical system

NASA Technical Reports Server (NTRS)

Dion, D. R.

1974-01-01

A two- (nondegenerate) level quantum system interacting with a classical monochromatic radiation field is described. The existing work on this problem is reviewed and some novel aspects of the problems are presented.

Heterogeneous Catalysis.

ERIC Educational Resources Information Center

Miranda, R.

1989-01-01

Described is a heterogeneous catalysis course which has elements of materials processing embedded in the classical format of catalytic mechanisms and surface chemistry. A course outline and list of examples of recent review papers written by students are provided. (MVL)

An Individualized Approach to Introductory Physics

ERIC Educational Resources Information Center

Rigden, John S.

1970-01-01

Explains individualization of a physics course in terms of organization, testing, and philosophy. Organization of laboratory and lecture is focused on two topics, classical mechanics and relativity theory. The testing consists of quantitative and qualitative questions. (DS)

Communicating physics and the design of textbooks

NASA Astrophysics Data System (ADS)

Barojas, J.; Trigueros, M.

1991-05-01

The cognitive domains of a communication scheme for learning physics are related to a framework based on epistemology, and the planning of an introductory calculus textbook in classical mechanics is shown as an example of application.

Time, Dynamics and Chaos: Integrating Poincare's 'Non-Integrable Systems'

DOE R&D Accomplishments Database

Prigogine, I.

1990-10-01

This report discusses the nature of time. The author attempts to resolve the conflict between the concept of time reversibility in classical and quantum mechanics with the macroscopic world's irreversibility of time. (LSP)

Quantum mechanics of black holes.

PubMed

Witten, Edward

2012-08-03

The popular conception of black holes reflects the behavior of the massive black holes found by astronomers and described by classical general relativity. These objects swallow up whatever comes near and emit nothing. Physicists who have tried to understand the behavior of black holes from a quantum mechanical point of view, however, have arrived at quite a different picture. The difference is analogous to the difference between thermodynamics and statistical mechanics. The thermodynamic description is a good approximation for a macroscopic system, but statistical mechanics describes what one will see if one looks more closely.

The divine clockwork: Bohr's correspondence principle and Nelson's stochastic mechanics for the atomic elliptic state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Durran, Richard; Neate, Andrew; Truman, Aubrey

2008-03-15

We consider the Bohr correspondence limit of the Schroedinger wave function for an atomic elliptic state. We analyze this limit in the context of Nelson's stochastic mechanics, exposing an underlying deterministic dynamical system in which trajectories converge to Keplerian motion on an ellipse. This solves the long standing problem of obtaining Kepler's laws of planetary motion in a quantum mechanical setting. In this quantum mechanical setting, local mild instabilities occur in the Keplerian orbit for eccentricities greater than (1/{radical}(2)) which do not occur classically.

A Comparison of Wood Density between Classical Cremonese and Modern Violins

PubMed Central

Stoel, Berend C.; Borman, Terry M.

2008-01-01

Classical violins created by Cremonese masters, such as Antonio Stradivari and Giuseppe Guarneri Del Gesu, have become the benchmark to which the sound of all violins are compared in terms of their abilities of expressiveness and projection. By general consensus, no luthier since that time has been able to replicate the sound quality of these classical instruments. The vibration and sound radiation characteristics of a violin are determined by an instrument's geometry and the material properties of the wood. New test methods allow the non-destructive examination of one of the key material properties, the wood density, at the growth ring level of detail. The densities of five classical and eight modern violins were compared, using computed tomography and specially developed image-processing software. No significant differences were found between the median densities of the modern and the antique violins, however the density difference between wood grains of early and late growth was significantly smaller in the classical Cremonese violins compared with modern violins, in both the top (Spruce) and back (Maple) plates (p = 0.028 and 0.008, respectively). The mean density differential (SE) of the top plates of the modern and classical violins was 274 (26.6) and 183 (11.7) gram/liter. For the back plates, the values were 128 (2.6) and 115 (2.0) gram/liter. These differences in density differentials may reflect similar changes in stiffness distributions, which could directly impact vibrational efficacy or indirectly modify sound radiation via altered damping characteristics. Either of these mechanisms may help explain the acoustical differences between the classical and modern violins. PMID:18596937

[The theory of mechanical activity of lungs--a creation history, the present and development prospects].

PubMed

Tetenev, F F; Tetenev, K F

2014-01-01

In article the history of creation of the doctrine about respiratory movements of lungs, history of classical mechanics of breathing is stated. Supervision of the paradoxical facts which became a basis for hypothesis creation, then the theory of mechanical activity of lungs are presented. The facts proving mechanical activity of lungs on an inspiration and an expiration are given. Options of interaction of intra pulmonary and extra pulmonary sources of mechanical energy are considered. Theoretical justification for development of the new direction of studying of physiology of mechanical movements of the internal which does not have own skeleton is stated.

Quantum Experimental Data in Psychology and Economics

NASA Astrophysics Data System (ADS)

Aerts, Diederik; D'Hooghe, Bart; Haven, Emmanuel

2010-12-01

We prove a theorem which shows that a collection of experimental data of probabilistic weights related to decisions with respect to situations and their disjunction cannot be modeled within a classical probabilistic weight structure in case the experimental data contain the effect referred to as the ‘disjunction effect’ in psychology. We identify different experimental situations in psychology, more specifically in concept theory and in decision theory, and in economics (namely situations where Savage’s Sure-Thing Principle is violated) where the disjunction effect appears and we point out the common nature of the effect. We analyze how our theorem constitutes a no-go theorem for classical probabilistic weight structures for common experimental data when the disjunction effect is affecting the values of these data. We put forward a simple geometric criterion that reveals the non classicality of the considered probabilistic weights and we illustrate our geometrical criterion by means of experimentally measured membership weights of items with respect to pairs of concepts and their disjunctions. The violation of the classical probabilistic weight structure is very analogous to the violation of the well-known Bell inequalities studied in quantum mechanics. The no-go theorem we prove in the present article with respect to the collection of experimental data we consider has a status analogous to the well known no-go theorems for hidden variable theories in quantum mechanics with respect to experimental data obtained in quantum laboratories. Our analysis puts forward a strong argument in favor of the validity of using the quantum formalism for modeling the considered psychological experimental data as considered in this paper.

Optical rectenna operation: where Maxwell meets Einstein

NASA Astrophysics Data System (ADS)

Joshi, Saumil; Moddel, Garret

2016-07-01

Optical rectennas are antenna-coupled diode rectifiers that receive and convert optical-frequency electromagnetic radiation into DC output. The analysis of rectennas is carried out either classically using Maxwell’s wave-like approach, or quantum-mechanically using Einstein’s particle-like approach for electromagnetic radiation. One of the characteristics of classical operation is that multiple photons transfer their energy to individual electrons, whereas in quantum operation each photon transfers its energy to each electron. We analyze the correspondence between the two approaches by comparing rectenna response first to monochromatic illumination obtained using photon-assisted tunnelling theory and classical theory. Applied to broadband rectenna operation, this correspondence provides clues to designing a rectenna solar cell that has the potential to exceed the 44% quantum-limited conversion efficiency. The comparison of operating regimes shows how optical rectenna operation differs from microwave rectenna operation.

DBI potential, DBI inflation action and general Lagrangian relative to phantom, K-essence and quintessence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Qing; Huang, Yong-Chang, E-mail: ychuang@bjut.edu.cn

We derive a Dirac-Born-Infeld (DBI) potential and DBI inflation action by rescaling the metric. The determinant of the induced metric naturally includes the kinetic energy and the potential energy. In particular, the potential energy and kinetic energy can convert into each other in any order, which is in agreement with the limit of classical physics. This is quite different from the usual DBI action. We show that the Taylor expansion of the DBI action can be reduced into the form in the non-linear classical physics. These investigations are the support for the statement that the results of string theory aremore » consistent with quantum mechanics and classical physics. We deduce the Phantom, K-essence, Quintessence and Generalized Klein-Gordon Equation from the DBI model.« less

Axion as a cold dark matter candidate: analysis to third order perturbation for classical axion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noh, Hyerim; Hwang, Jai-chan; Park, Chan-Gyung, E-mail: hr@kasi.re.kr, E-mail: jchan@knu.ac.kr, E-mail: park.chan.gyung@gmail.com

2015-12-01

We investigate aspects of axion as a coherently oscillating massive classical scalar field by analyzing third order perturbations in Einstein's gravity in the axion-comoving gauge. The axion fluid has its characteristic pressure term leading to an axion Jeans scale which is cosmologically negligible for a canonical axion mass. Our classically derived axion pressure term in Einstein's gravity is identical to the one derived in the non-relativistic quantum mechanical context in the literature. We present the general relativistic continuity and Euler equations for an axion fluid valid up to third order perturbation. Equations for axion are exactly the same as thatmore » of a zero-pressure fluid in Einstein's gravity except for an axion pressure term in the Euler equation. Our analysis includes the cosmological constant.« less

Complex Virus-Host Interactions Involved in the Regulation of Classical Swine Fever Virus Replication: A Minireview.

PubMed

Li, Su; Wang, Jinghan; Yang, Qian; Naveed Anwar, Muhammad; Yu, Shaoxiong; Qiu, Hua-Ji

2017-07-05

Classical swine fever (CSF), caused by classical swine fever virus (CSFV), is one of the most devastating epizootic diseases of pigs in many countries. Viruses are small intracellular parasites and thus rely on the cellular factors for replication. Fundamental aspects of CSFV-host interactions have been well described, such as factors contributing to viral attachment, modulation of genomic replication and translation, antagonism of innate immunity, and inhibition of cell apoptosis. However, those host factors that participate in the viral entry, assembly, and release largely remain to be elucidated. In this review, we summarize recent progress in the virus-host interactions involved in the life cycle of CSFV and analyze the potential mechanisms of viral entry, assembly, and release. We conclude with future perspectives and highlight areas that require further understanding.

Complex Virus–Host Interactions Involved in the Regulation of Classical Swine Fever Virus Replication: A Minireview

PubMed Central

Li, Su; Wang, Jinghan; Yang, Qian; Naveed Anwar, Muhammad; Yu, Shaoxiong; Qiu, Hua-Ji

2017-01-01

Classical swine fever (CSF), caused by classical swine fever virus (CSFV), is one of the most devastating epizootic diseases of pigs in many countries. Viruses are small intracellular parasites and thus rely on the cellular factors for replication. Fundamental aspects of CSFV–host interactions have been well described, such as factors contributing to viral attachment, modulation of genomic replication and translation, antagonism of innate immunity, and inhibition of cell apoptosis. However, those host factors that participate in the viral entry, assembly, and release largely remain to be elucidated. In this review, we summarize recent progress in the virus–host interactions involved in the life cycle of CSFV and analyze the potential mechanisms of viral entry, assembly, and release. We conclude with future perspectives and highlight areas that require further understanding. PMID:28678154

On the Meaning of Element in the Science of Italic Tradition, the Question of Physical Objectivity (and/or Physical Meaning) and Quantum Mechanics

NASA Astrophysics Data System (ADS)

Boscarino, Giuseppe

2006-06-01

It is questioned: Is quantum mechanics a new science or a new (or rather old) philosophy of physical science? It is shown that Einstein's attempt in his article of 1935 to bring the concept of "element" from the classical (we call it Italic) philosophical-epistemological tradition, which goes under the names of Pythagoras Parmenides, Democritus, and Newton, into quantum mechanical theory is unclear, inadequate and contradictory.

On spontaneous emission into guided modes with curved wavefronts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yariv, A.; Margalit, S.

1982-11-01

The problem of spontaneous emission into guided modes with curved wavefronts is examined quantum mechanically. A classical result due to Petermann, which shows an increased emission rate relative to modes with planar phase fronts, is corroborated.

Advance of Nitrogen Removal in Constructed Wetland

NASA Astrophysics Data System (ADS)

Xie, Anbin; Chen, Hao; You, Shaohong

2018-01-01

Based on current literature, the article reviewed the mechanism and route of nitrogen removal, discussed the microbial species associated with nitrogen metabolism in constructed wetlands. Key unresolved issues were concluded for classical and novel nitrogen removal routes.

Mechanical and Thermal Analysis of Classical Functionally Graded Coated Beam

NASA Astrophysics Data System (ADS)

Toudehdehghan, Abdolreza; Mujibur Rahman, Md.; Tarlochan, Faris

2018-03-01

The governing equation of a classical rectangular coated beam made of two layers subjected to thermal and uniformly distributed mechanical loads are derived by using the principle of virtual displacements and based on Euler-Bernoulli deformation beam theory (EBT). The aim of this paper was to analyze the static behavior of clamped-clamped thin coated beam under thermo-mechanical load using MATLAB. Two models were considered for composite coated. The first model was consisting of ceramic layer as a coated and substrate which was metal (HC model). The second model was consisting of Functionally Graded Material (FGM) as a coated layer and metal substrate (FGC model). From the result it was apparent that the superiority of the FGC composite against conventional coated composite has been demonstrated. From the analysis, the stress level throughout the thickness at the interface of the coated beam for the FGC was reduced. Yet, the deflection in return was observed to increase. Therefore, this could cater to various new engineering applications where warrant the utilization of material that has properties that are well-beyond the capabilities of the conventional or yesteryears materials.

Quasi-four-body treatment of charge transfer in the collision of protons with atomic helium: I. Thomas related mechanisms

NASA Astrophysics Data System (ADS)

Safarzade, Zohre; Fathi, Reza; Shojaei Akbarabadi, Farideh; Bolorizadeh, Mohammad A.

2018-04-01

The scattering of a completely bare ion by atoms larger than hydrogen is at least a four-body interaction, and the charge transfer channel involves a two-step process. Amongst the two-step interactions of the high-velocity single charge transfer in an anion-atom collision, there is one whose amplitude demonstrates a peak in the angular distribution of the cross sections. This peak, the so-called Thomas peak, was predicted by Thomas in a two-step interaction, classically, which could also be described through three-body quantum mechanical models. This work discusses a four-body quantum treatment of the charge transfer in ion-atom collisions, where two-step interactions illustrating a Thomas peak are emphasized. In addition, the Pauli exclusion principle is taken into account for the initial and final states as well as the operators. It will be demonstrated that there is a momentum condition for each two-step interaction to occur in a single charge transfer channel, where new classical interactions lead to the Thomas mechanism.

The physics of quantum materials

NASA Astrophysics Data System (ADS)

Keimer, B.; Moore, J. E.

2017-11-01

The physical description of all materials is rooted in quantum mechanics, which describes how atoms bond and electrons interact at a fundamental level. Although these quantum effects can in many cases be approximated by a classical description at the macroscopic level, in recent years there has been growing interest in material systems where quantum effects remain manifest over a wider range of energy and length scales. Such quantum materials include superconductors, graphene, topological insulators, Weyl semimetals, quantum spin liquids, and spin ices. Many of them derive their properties from reduced dimensionality, in particular from confinement of electrons to two-dimensional sheets. Moreover, they tend to be materials in which electrons cannot be considered as independent particles but interact strongly and give rise to collective excitations known as quasiparticles. In all cases, however, quantum-mechanical effects fundamentally alter properties of the material. This Review surveys the electronic properties of quantum materials through the prism of the electron wavefunction, and examines how its entanglement and topology give rise to a rich variety of quantum states and phases; these are less classically describable than conventional ordered states also driven by quantum mechanics, such as ferromagnetism.

Modal Interpretation of Quantum Mechanics and Classical Physical Theories

NASA Astrophysics Data System (ADS)

Ingarden, R. S.

In 1990, Bas C. van Fraassen defined the modal interpretation of quantum mechanics as the consideration of it as ``a pure theory of the possible, with testable, empirical implications for what actually happens". This is a narrow, traditional understanding of modality, only in the sense of the concept of possibility (usually denoted in logic by the C. I. Lewis's symbol 3) and the concept of necessity 2 defined by means of 3. In modern logic, however, modality is understood in a much wider sense as any intensional functor (i.e. non-extensional or determined not only by the truth value of a sentence). In the recent (independent of van Fraassen) publications of the author (1997), an attempt was made to apply this wider understanding of modality to interpretation of classical and quantum physics. In the present lecture, these problems are discussed on the background of a brief review of the logical approch to quantum mechanics in the recent 7 decades. In this discussion, the new concepts of sub-modality and super-modality of many orders are used.

Path integral Monte Carlo ground state approach: formalism, implementation, and applications

NASA Astrophysics Data System (ADS)

Yan, Yangqian; Blume, D.

2017-11-01

Monte Carlo techniques have played an important role in understanding strongly correlated systems across many areas of physics, covering a wide range of energy and length scales. Among the many Monte Carlo methods applicable to quantum mechanical systems, the path integral Monte Carlo approach with its variants has been employed widely. Since semi-classical or classical approaches will not be discussed in this review, path integral based approaches can for our purposes be divided into two categories: approaches applicable to quantum mechanical systems at zero temperature and approaches applicable to quantum mechanical systems at finite temperature. While these two approaches are related to each other, the underlying formulation and aspects of the algorithm differ. This paper reviews the path integral Monte Carlo ground state (PIGS) approach, which solves the time-independent Schrödinger equation. Specifically, the PIGS approach allows for the determination of expectation values with respect to eigen states of the few- or many-body Schrödinger equation provided the system Hamiltonian is known. The theoretical framework behind the PIGS algorithm, implementation details, and sample applications for fermionic systems are presented.

Physical Concepts and Mathematical Symbols

NASA Astrophysics Data System (ADS)

Grelland, Hans Herlof

2007-12-01

According to traditional empiricist philosophy of science, concepts and meaning grow out of sense experience, and the mathematical structure of a physical theory is nothing but a formalisation of a given meaning-content. This view seems to work well in classical mechanics. But it breaks down in quantum physics, where we have a self-supported mathematical structure which resists any conceptual or pictorial interpretation in the traditional sense. Thus, traditional empiricism is flawed. Quantum physics teaches us that mathematics is a language in itself which extends beyond ordinary language. To understand the meaning of this extended language, we have to explore how new concepts and intuitions grow out of mathematics, not the other way around. The symbolic structure is prior to its meaning. This point of view is called linguistic empiricism, to stress that the connection with experience is still crucial. As cases, I compare the concept of stiffness in classical mechanics and the concept of electron density in quantum mechanics. The last case demonstrates that the wave function has a richer interpretation than the probabilistic one concerning measurement of position.

Nature of the electromagnetic force between classical magnetic dipoles

NASA Astrophysics Data System (ADS)

Mansuripur, Masud

2017-09-01

The Lorentz force law of classical electrodynamics states that the force 𝑭𝑭 exerted by the magnetic induction 𝑩𝑩 on a particle of charge 𝑞𝑞 moving with velocity 𝑽𝑽 is given by 𝑭𝑭 = 𝑞𝑞𝑽𝑽 × 𝑩𝑩. Since this force is orthogonal to the direction of motion, the magnetic field is said to be incapable of performing mechanical work. Yet there is no denying that a permanent magnet can readily perform mechanical work by pushing/pulling on another permanent magnet or by attracting pieces of magnetizable material such as scrap iron or iron filings. We explain this apparent contradiction by examining the magnetic Lorentz force acting on an Amperian current loop, which is the model for a magnetic dipole. We then extend the discussion by analyzing the Einstein-Laub model of magnetic dipoles in the presence of external magnetic fields.

State-specific tunneling lifetimes from classical trajectories: H-atom dissociation in electronically excited pyrrole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Weiwei; Domcke, Wolfgang; Farantos, Stavros C.

A trajectory method of calculating tunneling probabilities from phase integrals along straight line tunneling paths, originally suggested by Makri and Miller [J. Chem. Phys. 91, 4026 (1989)] and recently implemented by Truhlar and co-workers [Chem. Sci. 5, 2091 (2014)], is tested for one- and two-dimensional ab initio based potentials describing hydrogen dissociation in the {sup 1}B{sub 1} excited electronic state of pyrrole. The primary observables are the tunneling rates in a progression of bending vibrational states lying below the dissociation barrier and their isotope dependences. Several initial ensembles of classical trajectories have been considered, corresponding to the quasiclassical and themore » quantum mechanical samplings of the initial conditions. It is found that the sampling based on the fixed energy Wigner density gives the best agreement with the quantum mechanical dissociation rates.« less

The Npro product of classical swine fever virus and bovine viral diarrhea virus uses a conserved mechanism to target interferon regulatory factor-3.

PubMed

Seago, Julian; Hilton, Louise; Reid, Elizabeth; Doceul, Virginie; Jeyatheesan, Janan; Moganeradj, Kartykayan; McCauley, John; Charleston, Bryan; Goodbourn, Stephen

2007-11-01

Classical swine fever virus (CSFV) is a member of the genus Pestivirus in the family Flaviviridae. The N(pro) product of CSFV targets the host's innate immune response and can prevent the production of type I interferon (IFN). The mechanism by which CSFV orchestrates this inhibition was investigated and it is shown that, like the related pestivirus bovine viral diarrhea virus (BVDV), this involves the N(pro) protein targeting interferon regulatory factor-3 (IRF-3) for degradation by proteasomes and thus preventing IRF-3 from activating transcription from the IFN-beta promoter. Like BVDV, the steady-state levels of IRF-3 mRNA are not reduced markedly by CSFV infection or N(pro) overexpression. Moreover, IFN-alpha stimulation of CSFV-infected cells induces the antiviral protein MxA, indicating that, as in BVDV-infected cells, the JAK/STAT pathway is not targeted for inhibition.

On the motion of the centre of mass of a system of particles

NASA Astrophysics Data System (ADS)

Saccomandi, Giuseppe

2010-05-01

We consider the simple and classical theorem of the motion of the centre of mass, pointing out that many textbooks append a wrong corollary to it: that the motion of the centre of mass is always independent from the internal forces. We give an explicit example showing that this corollary is wrong. We discuss using a historical approach the genesis of such a misunderstanding. The contents of the paper may be used at different levels of complexity. The explicit example may be used to discuss the theorem at an undergraduate level in a clearer way than usual, but the paper also contains much for an advanced course on classical mechanics. Moreover, the historical approach may also be of interest in the study of the philosophy and sociology of science. This paper is dedicated to the memory of my great and perspicacious teachers of mechanics: Pietro and Aldo.

Finite-size effect on optimal efficiency of heat engines.

PubMed

Tajima, Hiroyasu; Hayashi, Masahito

2017-07-01

The optimal efficiency of quantum (or classical) heat engines whose heat baths are n-particle systems is given by the strong large deviation. We give the optimal work extraction process as a concrete energy-preserving unitary time evolution among the heat baths and the work storage. We show that our optimal work extraction turns the disordered energy of the heat baths to the ordered energy of the work storage, by evaluating the ratio of the entropy difference to the energy difference in the heat baths and the work storage, respectively. By comparing the statistical mechanical optimal efficiency with the macroscopic thermodynamic bound, we evaluate the accuracy of the macroscopic thermodynamics with finite-size heat baths from the statistical mechanical viewpoint. We also evaluate the quantum coherence effect on the optimal efficiency of the cycle processes without restricting their cycle time by comparing the classical and quantum optimal efficiencies.

Multiscale Study of Plasmonic Scattering and Light Trapping Effect in Silicon Nanowire Array Solar Cells.

PubMed

Meng, Lingyi; Zhang, Yu; Yam, ChiYung

2017-02-02

Nanometallic structures that support surface plasmons provide new ways to confine light at deep-subwavelength scales. The effect of light scattering in nanowire array solar cells is studied by a multiscale approach combining classical electromagnetic (EM) and quantum mechanical simulations. A photovoltaic device is constructed by integrating a silicon nanowire array with a plasmonic silver nanosphere. The light scatterings by plasmonic element and nanowire array are obtained via classical EM simulations, while current-voltage characteristics and optical properties of the nanowire cells are evaluated quantum mechanically. We found that the power conversion efficiency (PCE) of photovoltaic device is substantially improved due to the local field enhancement of the plasmonic effect and light trapping by the nanowire array. In addition, we showed that there exists an optimal nanowire number density in terms of optical confinement and solar cell PCE.

Ignorance is a bliss: Mathematical structure of many-box models

NASA Astrophysics Data System (ADS)

Tylec, Tomasz I.; Kuś, Marek

2018-03-01

We show that the propositional system of a many-box model is always a set-representable effect algebra. In particular cases of 2-box and 1-box models, it is an orthomodular poset and an orthomodular lattice, respectively. We discuss the relation of the obtained results with the so-called Local Orthogonality principle. We argue that non-classical properties of box models are the result of a dual enrichment of the set of states caused by the impoverishment of the set of propositions. On the other hand, quantum mechanical models always have more propositions as well as more states than the classical ones. Consequently, we show that the box models cannot be considered as generalizations of quantum mechanical models and seeking additional principles that could allow us to "recover quantum correlations" in box models are, at least from the fundamental point of view, pointless.

Relativity Based on Physical Processes Rather Than Space-Time

NASA Astrophysics Data System (ADS)

Giese, Albrecht

2013-09-01

Physicists' understanding of relativity and the way it is handled is at present dominated by the interpretation of Albert Einstein, who related relativity to specific properties of space and time. The principal alternative to Einstein's interpretation is based on a concept proposed by Hendrik A. Lorentz, which uses knowledge of classical physics to explain relativistic phenomena. In this paper, we will show that on the one hand the Lorentz-based interpretation provides a simpler mathematical way of arriving at the known results for both Special and General Relativity. On the other hand, it is able to solve problems which have remained open to this day. Furthermore, a particle model will be presented, based on Lorentzian relativity, which explains the origin of mass without the use of the Higgs mechanism, based on the finiteness of the speed of light, and which provides the classical results for particle properties that are currently only accessible through quantum mechanics.

Imaging multiple sclerosis and other neurodegenerative diseases

PubMed Central

Inglese, Matilde; Petracca, Maria

2013-01-01

Although the prevalence of neurodegenerative diseases is increasing as a consequence of the growing aging population, the exact pathophysiological mechanisms leading to these diseases remains obscure. Multiple sclerosis (MS), an autoimmune disease of the central nervous system and the most frequent cause of disability among young people after traumatic brain injury, is characterized by inflammatory/demyelinating and neurodegenerative processes that occurr earlier in life. The ability to make an early diagnosis of MS with the support of conventional MRI techniques, provides the opportunity to study neurodegeneration and the underlying pathophysiological processes in earlier stages than in classical neurodegenerative diseases. This review summarizes mechanisms of neurodegeneration common to MS and to Alzheimer disease, Parkinson disease, and amiotrophic lateral sclerosis, and provides a brief overview of the neuroimaging studies employing MRI and PET techniques to investigate and monitor neurodegeneration in both MS and classical neurodegenerative diseases. PMID:23117868

New fundamental evidence of non-classical structure in the combination of natural concepts.

PubMed

Aerts, D; Sozzo, S; Veloz, T

2016-01-13

We recently performed cognitive experiments on conjunctions and negations of two concepts with the aim of investigating the combination problem of concepts. Our experiments confirmed the deviations (conceptual vagueness, underextension, overextension etc.) from the rules of classical (fuzzy) logic and probability theory observed by several scholars in concept theory, while our data were successfully modelled in a quantum-theoretic framework developed by ourselves. In this paper, we isolate a new, very stable and systematic pattern of violation of classicality that occurs in concept combinations. In addition, the strength and regularity of this non-classical effect leads us to believe that it occurs at a more fundamental level than the deviations observed up to now. It is our opinion that we have identified a deep non-classical mechanism determining not only how concepts are combined but, rather, how they are formed. We show that this effect can be faithfully modelled in a two-sector Fock space structure, and that it can be exactly explained by assuming that human thought is the superposition of two processes, a 'logical reasoning', guided by 'logic', and a 'conceptual reasoning', guided by 'emergence', and that the latter generally prevails over the former. All these findings provide new fundamental support to our quantum-theoretic approach to human cognition. © 2015 The Author(s).

Experimental quantum annealing: case study involving the graph isomorphism problem.

PubMed

Zick, Kenneth M; Shehab, Omar; French, Matthew

2015-06-08

Quantum annealing is a proposed combinatorial optimization technique meant to exploit quantum mechanical effects such as tunneling and entanglement. Real-world quantum annealing-based solvers require a combination of annealing and classical pre- and post-processing; at this early stage, little is known about how to partition and optimize the processing. This article presents an experimental case study of quantum annealing and some of the factors involved in real-world solvers, using a 504-qubit D-Wave Two machine and the graph isomorphism problem. To illustrate the role of classical pre-processing, a compact Hamiltonian is presented that enables a reduced Ising model for each problem instance. On random N-vertex graphs, the median number of variables is reduced from N(2) to fewer than N log2 N and solvable graph sizes increase from N = 5 to N = 13. Additionally, error correction via classical post-processing majority voting is evaluated. While the solution times are not competitive with classical approaches to graph isomorphism, the enhanced solver ultimately classified correctly every problem that was mapped to the processor and demonstrated clear advantages over the baseline approach. The results shed some light on the nature of real-world quantum annealing and the associated hybrid classical-quantum solvers.

Experimental quantum annealing: case study involving the graph isomorphism problem

PubMed Central

Zick, Kenneth M.; Shehab, Omar; French, Matthew

2015-01-01

Quantum annealing is a proposed combinatorial optimization technique meant to exploit quantum mechanical effects such as tunneling and entanglement. Real-world quantum annealing-based solvers require a combination of annealing and classical pre- and post-processing; at this early stage, little is known about how to partition and optimize the processing. This article presents an experimental case study of quantum annealing and some of the factors involved in real-world solvers, using a 504-qubit D-Wave Two machine and the graph isomorphism problem. To illustrate the role of classical pre-processing, a compact Hamiltonian is presented that enables a reduced Ising model for each problem instance. On random N-vertex graphs, the median number of variables is reduced from N2 to fewer than N log2 N and solvable graph sizes increase from N = 5 to N = 13. Additionally, error correction via classical post-processing majority voting is evaluated. While the solution times are not competitive with classical approaches to graph isomorphism, the enhanced solver ultimately classified correctly every problem that was mapped to the processor and demonstrated clear advantages over the baseline approach. The results shed some light on the nature of real-world quantum annealing and the associated hybrid classical-quantum solvers. PMID:26053973

Bidirectional Classical Stochastic Processes with Measurements and Feedback

NASA Technical Reports Server (NTRS)

Hahne, G. E.

2005-01-01

A measurement on a quantum system is said to cause the "collapse" of the quantum state vector or density matrix. An analogous collapse occurs with measurements on a classical stochastic process. This paper addresses the question of describing the response of a classical stochastic process when there is feedback from the output of a measurement to the input, and is intended to give a model for quantum-mechanical processes that occur along a space-like reaction coordinate. The classical system can be thought of in physical terms as two counterflowing probability streams, which stochastically exchange probability currents in a way that the net probability current, and hence the overall probability, suitably interpreted, is conserved. The proposed formalism extends the . mathematics of those stochastic processes describable with linear, single-step, unidirectional transition probabilities, known as Markov chains and stochastic matrices. It is shown that a certain rearrangement and combination of the input and output of two stochastic matrices of the same order yields another matrix of the same type. Each measurement causes the partial collapse of the probability current distribution in the midst of such a process, giving rise to calculable, but non-Markov, values for the ensuing modification of the system's output probability distribution. The paper concludes with an analysis of a classical probabilistic version of the so-called grandfather paradox.

A single-sided representation for the homogeneous Green's function of a unified scalar wave equation.

PubMed

Wapenaar, Kees

2017-06-01

A unified scalar wave equation is formulated, which covers three-dimensional (3D) acoustic waves, 2D horizontally-polarised shear waves, 2D transverse-electric EM waves, 2D transverse-magnetic EM waves, 3D quantum-mechanical waves and 2D flexural waves. The homogeneous Green's function of this wave equation is a combination of the causal Green's function and its time-reversal, such that their singularities at the source position cancel each other. A classical representation expresses this homogeneous Green's function as a closed boundary integral. This representation finds applications in holographic imaging, time-reversed wave propagation and Green's function retrieval by cross correlation. The main drawback of the classical representation in those applications is that it requires access to a closed boundary around the medium of interest, whereas in many practical situations the medium can be accessed from one side only. Therefore, a single-sided representation is derived for the homogeneous Green's function of the unified scalar wave equation. Like the classical representation, this single-sided representation fully accounts for multiple scattering. The single-sided representation has the same applications as the classical representation, but unlike the classical representation it is applicable in situations where the medium of interest is accessible from one side only.

Classical plasma dynamics of Mie-oscillations in atomic clusters

NASA Astrophysics Data System (ADS)

Kull, H.-J.; El-Khawaldeh, A.

2018-04-01

Mie plasmons are of basic importance for the absorption of laser light by atomic clusters. In this work we first review the classical Rayleigh-theory of a dielectric sphere in an external electric field and Thomson’s plum-pudding model applied to atomic clusters. Both approaches allow for elementary discussions of Mie oscillations, however, they also indicate deficiencies in describing the damping mechanisms by electrons crossing the cluster surface. Nonlinear oscillator models have been widely studied to gain an understanding of damping and absorption by outer ionization of the cluster. In the present work, we attempt to address the issue of plasmon relaxation in atomic clusters in more detail based on classical particle simulations. In particular, we wish to study the role of thermal motion on plasmon relaxation, thereby extending nonlinear models of collective single-electron motion. Our simulations are particularly adopted to the regime of classical kinetics in weakly coupled plasmas and to cluster sizes extending the Debye-screening length. It will be illustrated how surface scattering leads to the relaxation of Mie oscillations in the presence of thermal motion and of electron spill-out at the cluster surface. This work is intended to give, from a classical perspective, further insight into recent work on plasmon relaxation in quantum plasmas [1].

Consciousness and values in the quantum universe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stapp, H.P.

1985-01-01

Application of quantum mechanical description to neurophysiological processes appears to provide for a natural unification of the physical and humanistic sciences. The categories of thought used to represent physical and psychical processes become united, and the mechanical conception of man created by classical physics is replaced by a profoundly different quantum conception. This revised image of man allows human values to be rooted in contemporary science.

Academician Nikolai Nikolaevich Bogolyubov (for the 100th anniversary of his birth)

NASA Astrophysics Data System (ADS)

Martynyuk, A. A.; Mishchenko, E. F.; Samoilenko, A. M.; Sukhanov, A. D.

2009-07-01

This paper is dedicated to the memory of N. N. Bogolyubov in recognition of his towering stature in nonlinear mechanics and theoretical physics, his remarkable many-sided genius, and the originality and depth of his contribution to the world's science. The paper briefly describes Bogolyubov's achievements in nonlinear mechanics, classical statistical physics, theory of superconductivity, quantum field theory, and strong interaction theory

Baryogenesis via leptonic CP-violating phase transition

NASA Astrophysics Data System (ADS)

Pascoli, Silvia; Turner, Jessica; Zhou, Ye-Ling

2018-05-01

We propose a new mechanism to generate a lepton asymmetry based on the vacuum CP-violating phase transition (CPPT). This approach differs from classical thermal leptogenesis as a specific seesaw model, and its UV completion, need not be specified. The lepton asymmetry is generated via the dynamically realised coupling of the Weinberg operator during the phase transition. This mechanism provides a connection with low-energy neutrino observables.

Perspectives in Quantum Physics: Epistemological, Ontological and Pedagogical--An Investigation into Student and Expert Perspectives on the Physical Interpretation of Quantum Mechanics, with Implications for Modern Physics Instruction

ERIC Educational Resources Information Center

Baily, Charles Raymond

2011-01-01

A common learning goal for modern physics instructors is for students to recognize a difference between the experimental uncertainty of classical physics and the fundamental uncertainty of quantum mechanics. Our studies suggest this notoriously difficult task may be frustrated by the intuitively "realist" perspectives of introductory…

Quantum Behavior of an Autonomous Maxwell Demon

NASA Astrophysics Data System (ADS)

Chapman, Adrian; Miyake, Akimasa

2015-03-01

A Maxwell Demon is an agent that can exploit knowledge of a system's microstate to perform useful work. The second law of thermodynamics is only recovered upon taking into account the work required to irreversibly update the demon's memory, bringing information theoretic concepts into a thermodynamic framework. Recently, there has been interest in modeling a classical Maxwell demon as an autonomous physical system to study this information-work tradeoff explicitly. Motivated by the idea that states with non-local entanglement structure can be used as a computational resource, we ask whether these states have thermodynamic resource quality as well by generalizing a particular classical autonomous Maxwell demon to the quantum regime. We treat the full quantum description using a matrix product operator formalism, which allows us to handle quantum and classical correlations in a unified framework. Applying this, together with techniques from statistical mechanics, we are able to approximate nonlocal quantities such as the erasure performed on the demon's memory register when correlations are present. Finally, we examine how the demon may use these correlations as a resource to outperform its classical counterpart.

Integrating quantum key distribution with classical communications in backbone fiber network.

PubMed

Mao, Yingqiu; Wang, Bi-Xiao; Zhao, Chunxu; Wang, Guangquan; Wang, Ruichun; Wang, Honghai; Zhou, Fei; Nie, Jimin; Chen, Qing; Zhao, Yong; Zhang, Qiang; Zhang, Jun; Chen, Teng-Yun; Pan, Jian-Wei

2018-03-05

Quantum key distribution (QKD) provides information-theoretic security based on the laws of quantum mechanics. The desire to reduce costs and increase robustness in real-world applications has motivated the study of coexistence between QKD and intense classical data traffic in a single fiber. Previous works on coexistence in metropolitan areas have used wavelength-division multiplexing, however, coexistence in backbone fiber networks remains a great experimental challenge, as Tbps data of up to 20 dBm optical power is transferred, and much more noise is generated for QKD. Here we present for the first time, to the best of our knowledge, the integration of QKD with a commercial backbone network of 3.6 Tbps classical data at 21 dBm launch power over 66 km fiber. With 20 GHz pass-band filtering and large effective core area fibers, real-time secure key rates can reach 4.5 kbps and 5.1 kbps for co-propagation and counter-propagation at the maximum launch power, respectively. This demonstrates feasibility and represents an important step towards building a quantum network that coexists with the current backbone fiber infrastructure of classical communications.

Analogy between electromagnetic potentials and wave-like dynamic variables with connections to quantum theory

NASA Astrophysics Data System (ADS)

Yang, Chen

2018-05-01

The transitions from classical theories to quantum theories have attracted many interests. This paper demonstrates the analogy between the electromagnetic potentials and wave-like dynamic variables with their connections to quantum theory for audiences at advanced undergraduate level and above. In the first part, the counterpart relations in the classical electrodynamics (e.g. gauge transform and Lorenz condition) and classical mechanics (e.g. Legendre transform and free particle condition) are presented. These relations lead to similar governing equations of the field variables and dynamic variables. The Lorenz gauge, scalar potential and vector potential manifest a one-to-one similarity to the action, Hamiltonian and momentum, respectively. In the second part, the connections between the classical pictures of electromagnetic field and particle to quantum picture are presented. By characterising the states of electromagnetic field and particle via their (corresponding) variables, their evolution pictures manifest the same algebraic structure (isomorphic). Subsequently, pictures of the electromagnetic field and particle are compared to the quantum picture and their interconnections are given. A brief summary of the obtained results are presented at the end of the paper.

Niels Bohr on the wave function and the classical/quantum divide

NASA Astrophysics Data System (ADS)

Zinkernagel, Henrik

2016-02-01

It is well known that Niels Bohr insisted on the necessity of classical concepts in the account of quantum phenomena. But there is little consensus concerning his reasons, and what he exactly meant by this. In this paper, I re-examine Bohr's interpretation of quantum mechanics, and argue that the necessity of the classical can be seen as part of his response to the measurement problem. More generally, I attempt to clarify Bohr's view on the classical/quantum divide, arguing that the relation between the two theories is that of mutual dependence. An important element in this clarification consists in distinguishing Bohr's idea of the wave function as symbolic from both a purely epistemic and an ontological interpretation. Together with new evidence concerning Bohr's conception of the wave function collapse, this sets his interpretation apart from both standard versions of the Copenhagen interpretation, and from some of the reconstructions of his view found in the literature. I conclude with a few remarks on how Bohr's ideas make much sense also when modern developments in quantum gravity and early universe cosmology are taken into account.

Tunneling time in space fractional quantum mechanics

NASA Astrophysics Data System (ADS)

Hasan, Mohammad; Mandal, Bhabani Prasad

2018-02-01

We calculate the time taken by a wave packet to travel through a classically forbidden region of space in space fractional quantum mechanics. We obtain the close form expression of tunneling time from a rectangular barrier by stationary phase method. We show that tunneling time depends upon the width b of the barrier for b → ∞ and therefore Hartman effect doesn't exist in space fractional quantum mechanics. Interestingly we found that the tunneling time monotonically reduces with increasing b. The tunneling time is smaller in space fractional quantum mechanics as compared to the case of standard quantum mechanics. We recover the Hartman effect of standard quantum mechanics as a special case of space fractional quantum mechanics.

The Frame of Fixed Stars in Relational Mechanics

NASA Astrophysics Data System (ADS)

Ferraro, Rafael

2017-01-01

Relational mechanics is a gauge theory of classical mechanics whose laws do not govern the motion of individual particles but the evolution of the distances between particles. Its formulation gives a satisfactory answer to Leibniz's and Mach's criticisms of Newton's mechanics: relational mechanics does not rely on the idea of an absolute space. When describing the behavior of small subsystems with respect to the so called "fixed stars", relational mechanics basically agrees with Newtonian mechanics. However, those subsystems having huge angular momentum will deviate from the Newtonian behavior if they are described in the frame of fixed stars. Such subsystems naturally belong to the field of astronomy; they can be used to test the relational theory.

The effects of psilocybin and MDMA on between-network resting state functional connectivity in healthy volunteers.

PubMed

Roseman, Leor; Leech, Robert; Feilding, Amanda; Nutt, David J; Carhart-Harris, Robin L

2014-01-01

Perturbing a system and observing the consequences is a classic scientific strategy for understanding a phenomenon. Psychedelic drugs perturb consciousness in a marked and novel way and thus are powerful tools for studying its mechanisms. In the present analysis, we measured changes in resting-state functional connectivity (RSFC) between a standard template of different independent components analysis (ICA)-derived resting state networks (RSNs) under the influence of two different psychoactive drugs, the stimulant/psychedelic hybrid, MDMA, and the classic psychedelic, psilocybin. Both were given in placebo-controlled designs and produced marked subjective effects, although reports of more profound changes in consciousness were given after psilocybin. Between-network RSFC was generally increased under psilocybin, implying that networks become less differentiated from each other in the psychedelic state. Decreased RSFC between visual and sensorimotor RSNs was also observed. MDMA had a notably less marked effect on between-network RSFC, implying that the extensive changes observed under psilocybin may be exclusive to classic psychedelic drugs and related to their especially profound effects on consciousness. The novel analytical approach applied here may be applied to other altered states of consciousness to improve our characterization of different conscious states and ultimately advance our understanding of the brain mechanisms underlying them.

Quantum mechanical expansion of variance of a particle in a weakly non-uniform electric and magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chan, Poh Kam; Kosaka, Wataru; Oikawa, Shun-ichi

We have solved the Heisenberg equation of motion for the time evolution of the position and momentum operators for a non-relativistic spinless charged particle in the presence of a weakly non-uniform electric and magnetic field. It is shown that the drift velocity operator obtained in this study agrees with the classical counterpart, and that, using the time dependent operators, the variances in position and momentum grow with time. The expansion rate of variance in position and momentum are dependent on the magnetic gradient scale length, however, independent of the electric gradient scale length. In the presence of a weakly non-uniformmore » electric and magnetic field, the theoretical expansion rates of variance expansion are in good agreement with the numerical analysis. It is analytically shown that the variance in position reaches the square of the interparticle separation, which is the characteristic time much shorter than the proton collision time of plasma fusion. After this time, the wavefunctions of the neighboring particles would overlap, as a result, the conventional classical analysis may lose its validity. The broad distribution of individual particle in space means that their Coulomb interactions with other particles become weaker than that expected in classical mechanics.« less

Diabetes mellitus in classical trigeminal neuralgia: A predisposing factor for its development.

PubMed

Xu, Zhenq; Zhang, Ping; Long, Li; He, Huiy; Zhang, Jianch; Sun, Shup

2016-12-01

A higher prevalence of diabetes mellitus in classical trigeminal neuralgia patients was observed in few pilot surveys. The study was aimed to investigate whether diabetes mellitus is a predisposing factor for developing trigeminal neuralgia. Patients with classical trigeminal neuralgia were enrolled in the case study group. The control group consisted of the same number of age- and gender-matched, randomly sampled subjects without trigeminal neuralgia. Characteristics of classical trigeminal neuralgia cases were analyzed. The prevalence of diabetes mellitus in the cases and controls was calculated using the Chi-square test. The onset age ranged from 31 to 93 in 256 patients affected classical trigeminal neuralgia (162 females; 94 males) with a peak age between the fifth and seventh decade; right-side involvement and mandibular branch affliction occurred at a greater frequency. 21.9% patients in the study group was affected by diabetes mellitus compared to 12.9% of controls. The increased prevalence of diabetes mellitus in the trigeminal neuralgia group was statistically significant (P=0.01). Diabetes is a risk factor to the development of classical trigeminal neuralgia, and nerve damage duing to hyperglycemia might be the linkage to the two diseases. More works should be done to consolidate the correlation and to clarify the underlying mechanism for the positive association which would provide new insight into the pathogenesis of trigeminal neuralgia and may open new therapeutic perspectives. Copyright © 2016 Elsevier B.V. All rights reserved.

Can We Advance Macroscopic Quantum Systems Outside the Framework of Complex Decoherence Theory?

PubMed Central

Brezinski, Mark E; Rupnick, Maria

2016-01-01

Macroscopic quantum systems (MQS) are macroscopic systems driven by quantum rather than classical mechanics, a long studied area with minimal success till recently. Harnessing the benefits of quantum mechanics on a macroscopic level would revolutionize fields ranging from telecommunication to biology, the latter focused on here for reasons discussed. Contrary to misconceptions, there are no known physical laws that prevent the development of MQS. Instead, they are generally believed universally lost in complex systems from environmental entanglements (decoherence). But we argue success is achievable MQS with decoherence compensation developed, naturally or artificially, from top-down rather current reductionist approaches. This paper advances the MQS field by a complex systems approach to decoherence. First, why complex system decoherence approaches (top-down) are needed is discussed. Specifically, complex adaptive systems (CAS) are not amenable to reductionist models (and their master equations) because of emergent behaviour, approximation failures, not accounting for quantum compensatory mechanisms, ignoring path integrals, and the subentity problem. In addition, since MQS must exist within the context of the classical world, where rapid decoherence and prolonged coherence are both needed. Nature has already demonstrated this for quantum subsystems such as photosynthesis and magnetoreception. Second, we perform a preliminary study that illustrates a top-down approach to potential MQS. In summary, reductionist arguments against MQS are not justifiable. It is more likely they are not easily detectable in large intact classical systems or have been destroyed by reductionist experimental set-ups. This complex systems decoherence approach, using top down investigations, is critical to paradigm shifts in MQS research both in biological and non-biological systems. PMID:29200743

Quantifying Textures of Rapakivi Granites and Mantle Formation Insights

NASA Astrophysics Data System (ADS)

Ashauer, Z.; Currier, R. M.

2017-12-01

Rapakivi texture, the mantling of plagioclase on alkali feldspar, is a common occurrence in granitoids derived from crustal melting. Presented here, are several textural analyses that quantify mantle thickness and the overall distribution of crystal populations. Analyses were performed on outcrops and slabbed samples from the Wolf River Batholith, Wisconsin, USA and the Wiborg Batholith, Finland. Both localities are "classical" rapakivi granites of Proterozoic age associated with incipient rifting of the supercontinent Nuna/Columbia. Mantle thickness analysis reveals a relationship between the characteristic size of the mantle and the size of the core. The thickest mantles tend to be on relatively small cores while relatively large cores display thin mantles. This relationship is consistent with a replacement origin as a result of alkali feldspar dissolution with concomitant reprecipitation of plagioclase, due to disequilibrium between crystal and melt. If this is the case then crystal size distributions should be similar between unmantled and mantled megacrysts. Preliminary results confirm this supposition: rapakivi mantle formation in these classical systems appear to be the result of replacement. These textural analyses immediately call into question the viability of epitaxial growth models. A certain amount of disequilibrium is required to drive the replacement reaction. Two potential mechanisms are 1) mechanical transfer of crystals into a magma of more mafic composition (i.e., magma mixing), and 2) the production of a heterogeneous melt during rapid melting of granitic rock and reaction between unmelted crystals and partial melt. The classical rapakivi granites are associated with prolonged bimodal magmatism, and so there is clear potential to drive either of these mantling mechanisms.

Can We Advance Macroscopic Quantum Systems Outside the Framework of Complex Decoherence Theory?

PubMed

Brezinski, Mark E; Rupnick, Maria

2014-07-01

Macroscopic quantum systems (MQS) are macroscopic systems driven by quantum rather than classical mechanics, a long studied area with minimal success till recently. Harnessing the benefits of quantum mechanics on a macroscopic level would revolutionize fields ranging from telecommunication to biology, the latter focused on here for reasons discussed. Contrary to misconceptions, there are no known physical laws that prevent the development of MQS. Instead, they are generally believed universally lost in complex systems from environmental entanglements (decoherence). But we argue success is achievable MQS with decoherence compensation developed, naturally or artificially, from top-down rather current reductionist approaches. This paper advances the MQS field by a complex systems approach to decoherence. First, why complex system decoherence approaches (top-down) are needed is discussed. Specifically, complex adaptive systems (CAS) are not amenable to reductionist models (and their master equations) because of emergent behaviour, approximation failures, not accounting for quantum compensatory mechanisms, ignoring path integrals, and the subentity problem. In addition, since MQS must exist within the context of the classical world, where rapid decoherence and prolonged coherence are both needed. Nature has already demonstrated this for quantum subsystems such as photosynthesis and magnetoreception. Second, we perform a preliminary study that illustrates a top-down approach to potential MQS. In summary, reductionist arguments against MQS are not justifiable. It is more likely they are not easily detectable in large intact classical systems or have been destroyed by reductionist experimental set-ups. This complex systems decoherence approach, using top down investigations, is critical to paradigm shifts in MQS research both in biological and non-biological systems.

Computing with a single qubit faster than the computation quantum speed limit

NASA Astrophysics Data System (ADS)

Sinitsyn, Nikolai A.

2018-02-01

The possibility to save and process information in fundamentally indistinguishable states is the quantum mechanical resource that is not encountered in classical computing. I demonstrate that, if energy constraints are imposed, this resource can be used to accelerate information-processing without relying on entanglement or any other type of quantum correlations. In fact, there are computational problems that can be solved much faster, in comparison to currently used classical schemes, by saving intermediate information in nonorthogonal states of just a single qubit. There are also error correction strategies that protect such computations.

Coupling-Induced Bipartite Pointer States in Arrays of Electron Billiards: Quantum Darwinism in Action?

NASA Astrophysics Data System (ADS)

Brunner, R.; Akis, R.; Ferry, D. K.; Kuchar, F.; Meisels, R.

2008-07-01

We discuss a quantum system coupled to the environment, composed of an open array of billiards (dots) in series. Beside pointer states occurring in individual dots, we observe sets of robust states which arise only in the array. We define these new states as bipartite pointer states, since they cannot be described in terms of simple linear combinations of robust single-dot states. The classical existence of bipartite pointer states is confirmed by comparing the quantum-mechanical and classical results. The ability of the robust states to create “offspring” indicates that quantum Darwinism is in action.

Coupling-induced bipartite pointer states in arrays of electron billiards: quantum Darwinism in action?

PubMed

Brunner, R; Akis, R; Ferry, D K; Kuchar, F; Meisels, R

2008-07-11

We discuss a quantum system coupled to the environment, composed of an open array of billiards (dots) in series. Beside pointer states occurring in individual dots, we observe sets of robust states which arise only in the array. We define these new states as bipartite pointer states, since they cannot be described in terms of simple linear combinations of robust single-dot states. The classical existence of bipartite pointer states is confirmed by comparing the quantum-mechanical and classical results. The ability of the robust states to create "offspring" indicates that quantum Darwinism is in action.

Gravitational forces and moments on spacecraft

NASA Technical Reports Server (NTRS)

Kane, T. R.; Likins, P. W.

1975-01-01

The solution of problems of attitude dynamics of spacecraft and the influence of gravitational forces and moments is examined. Arguments are presented based on Newton's law of gravitation, and employing the methods of Newtonian (vectorial) mechanics, with minimal recourse to the classical concepts of potential theory. The necessary ideas were developed and relationships were established to permit the representation of gravitational forces and moments exerted on bodies in space by other bodies, both in terms involving the mass distribution properties of the bodies, and in terms of vector operations on those scalar functions classically described as gravitational potential functions.

Force on an electric/magnetic dipole and classical approach to spin-orbit coupling in hydrogen-like atoms

NASA Astrophysics Data System (ADS)

Kholmetskii, A. L.; Missevitch, O. V.; Yarman, T.

2017-09-01

We carry out the classical analysis of spin-orbit coupling in hydrogen-like atoms, using the modern expressions for the force and energy of an electric/magnetic dipole in an electromagnetic field. We disclose a novel physical meaning of this effect and show that for a laboratory observer the energy of spin-orbit interaction is represented solely by the mechanical energy of the spinning electron (considered as a gyroscope) due to the Thomas precession of its spin. Concurrently we disclose some errors in the old and new publications on this subject.

Swings and roundabouts: optical Poincaré spheres for polarization and Gaussian beams

NASA Astrophysics Data System (ADS)

Dennis, M. R.; Alonso, M. A.

2017-02-01

The connection between Poincaré spheres for polarization and Gaussian beams is explored, focusing on the interpretation of elliptic polarization in terms of the isotropic two-dimensional harmonic oscillator in Hamiltonian mechanics, its canonical quantization and semiclassical interpretation. This leads to the interpretation of structured Gaussian modes, the Hermite-Gaussian, Laguerre-Gaussian and generalized Hermite-Laguerre-Gaussian modes as eigenfunctions of operators corresponding to the classical constants of motion of the two-dimensional oscillator, which acquire an extra significance as families of classical ellipses upon semiclassical quantization. This article is part of the themed issue 'Optical orbital angular momentum'.

Counterfactual Definiteness and Bell's Inequality

NASA Astrophysics Data System (ADS)

Hess, Karl; Raedt, Hans De; Michielsen, Kristel

Counterfactual definiteness must be used as at least one of the postulates or axioms that are necessary to derive Bell-type inequalities. It is considered by many to be a postulate that is not only commensurate with classical physics (as for example Einstein's special relativity), but also separates and distinguishes classical physics from quantum mechanics. It is the purpose of this paper to show that Bell's choice of mathematical functions and independent variables implicitly includes counterfactual definiteness and reduces the generality of the physics of Bell-type theories so significantly that no meaningful comparison of these theories with actual Einstein-Podolsky-Rosen experiments can be made.

Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)].

PubMed

Miller, Thomas F; Manolopoulos, David E; Madden, Paul A; Konieczny, Martin; Oberhofer, Harald

2005-02-01

We show that the two phase points considered in the recent simulations of liquid para hydrogen by Hone and Voth lie in the liquid-vapor coexistence region of a purely classical molecular dynamics simulation. By contrast, their phase point for ortho deuterium was in the one-phase liquid region for both classical and quantum simulations. These observations are used to account for their report that quantum mechanical effects enhance the diffusion in liquid para hydrogen and decrease it in ortho deuterium.(c) 2005 American Institute of Physics.

A simple explanation of the classic hydrostatic paradox

NASA Astrophysics Data System (ADS)

Kontomaris, Stylianos-Vasileios; Malamou, Anna

2016-07-01

An interesting problem in fluid mechanics, with significant educational importance, is the classic hydrostatic paradox. The hydrostatic paradox states the fact that in different shaped containers, with the same base area, which are filled with a liquid of the same height, the applied force by the liquid on the base of each container is exactly the same. However, if the shape of the container is different, the amount of the liquid (and as a consequence the weight) can greatly vary. In this paper, a simple explanation of the hydrostatic paradox, specifically designed and implemented for educational purposes regarding secondary education, is provided.

The Structure Lacuna

PubMed Central

Boeyens, Jan C.A.; Levendis, Demetrius C.

2012-01-01

Molecular symmetry is intimately connected with the classical concept of three-dimensional molecular structure. In a non-classical theory of wave-like interaction in four-dimensional space-time, both of these concepts and traditional quantum mechanics lose their operational meaning, unless suitably modified. A required reformulation should emphasize the importance of four-dimensional effects like spin and the symmetry effects of space-time curvature that could lead to a fundamentally different understanding of molecular symmetry and structure in terms of elementary number theory. Isolated single molecules have no characteristic shape and macro-biomolecules only develop robust three-dimensional structure in hydrophobic response to aqueous cellular media. PMID:22942753

Constitutive response of Rene 80 under thermal mechanical loads

NASA Technical Reports Server (NTRS)

Kim, K. S.; Cook, T. S.; Mcknight, R. L.

1988-01-01

The applicability of a classical constitutive model for stress-strain analysis of a nickel base superalloy, Rene' 80, in the gas turbine thermomechanical fatigue (TMF) environment is examined. A variety of tests were conducted to generate basic material data and to investigate the material response under cyclic thermomechanical loading. Isothermal stress-strain data were acquired at a variety of strain rates over the TMF temperature range. Creep curves were examined at 2 temperature ranges, 871 to 982 C and 760 to 871 C. The results provide optimism on the ability of the classical constitutive model for high temperature applications.

On the transition from the quantum to the classical regime for massive scalar particles: A spatiotemporal approach

NASA Astrophysics Data System (ADS)

Lusanna, Luca; Pauri, Massimo

2014-08-01

If the classical structure of space-time is assumed to define an a priori scenario for the formulation of quantum theory (QT), the coordinate representation of the solutions of the Schroedinger equation of a quantum system containing one ( N) massive scalar particle has a preferred status. Let us consider all of the solutions admitting a multipolar expansion of the probability density function (and more generally of the Wigner function) around a space-time trajectory to be properly selected. For every normalized solution there is a privileged trajectory implying the vanishing of the dipole moment of the multipolar expansion: it is given by the expectation value of the position operator . Then, the special subset of solutions which satisfy Ehrenfest's Theorem (named thereby Ehrenfest monopole wave functions (EMWF)), have the important property that this privileged classical trajectory is determined by a closed Newtonian equation of motion where the effective force is the Newtonian force plus non-Newtonian terms (of order ħ 2 or higher) depending on the higher multipoles of the probability distribution ρ. Note that the superposition of two EMWFs is not an EMWF, a result to be strongly hoped for, given the possible unwanted implications concerning classical spatial perception. These results can be extended to N-particle systems in such a way that, when N classical trajectories with all the dipole moments vanishing and satisfying Ehrenfest theorem are associated with the normalized wave functions of the N-body system, we get a natural transition from the 3 N-dimensional configuration space to the space-time. Moreover, these results can be extended to relativistic quantum mechanics. Consequently, in suitable states of N quantum particle which are EMWF, we get the "emergence" of corresponding "classical particles" following Newton-like trajectories in space-time. Note that all this holds true in the standard framework of quantum mechanics, i.e. assuming, in particular, the validity of Born's rule and the individual system interpretation of the wave function (no ensemble interpretation). These results are valid without any approximation (like ħ → 0, big quantum numbers, etc.). Moreover, we do not commit ourselves to any specific ontological interpretation of quantum theory (such as, e.g., the Bohmian one). We will argue that, in substantial agreement with Bohr's viewpoint, the macroscopic description of the preparation, certain intermediate steps and the detection of the final outcome of experiments involving massive particles are dominated by these classical "effective" trajectories. This approach can be applied to the point of view of de-coherence in the case of a diagonal reduced density matrix ρ red (an improper mixture) depending on the position variables of a massive particle and of a pointer. When both the particle and the pointer wave functions appearing in ρ red are EMWF, the expectation value of the particle and pointer position variables becomes a statistical average on a classical ensemble. In these cases an improper quantum mixture becomes a classical statistical one, thus providing a particular answer to an open problem of de-coherence about the emergence of classicality.

Principles of Quantum Mechanics

NASA Astrophysics Data System (ADS)

Landé, Alfred

2013-10-01

Preface; Introduction: 1. Observation and interpretation; 2. Difficulties of the classical theories; 3. The purpose of quantum theory; Part I. Elementary Theory of Observation (Principle of Complementarity): 4. Refraction in inhomogeneous media (force fields); 5. Scattering of charged rays; 6. Refraction and reflection at a plane; 7. Absolute values of momentum and wave length; 8. Double ray of matter diffracting light waves; 9. Double ray of matter diffracting photons; 10. Microscopic observation of ρ (x) and σ (p); 11. Complementarity; 12. Mathematical relation between ρ (x) and σ (p) for free particles; 13. General relation between ρ (q) and σ (p); 14. Crystals; 15. Transition density and transition probability; 16. Resultant values of physical functions; matrix elements; 17. Pulsating density; 18. General relation between ρ (t) and σ (є); 19. Transition density; matrix elements; Part II. The Principle of Uncertainty: 20. Optical observation of density in matter packets; 21. Distribution of momenta in matter packets; 22. Mathematical relation between ρ and σ; 23. Causality; 24. Uncertainty; 25. Uncertainty due to optical observation; 26. Dissipation of matter packets; rays in Wilson Chamber; 27. Density maximum in time; 28. Uncertainty of energy and time; 29. Compton effect; 30. Bothe-Geiger and Compton-Simon experiments; 31. Doppler effect; Raman effect; 32. Elementary bundles of rays; 33. Jeans' number of degrees of freedom; 34. Uncertainty of electromagnetic field components; Part III. The Principle of Interference and Schrödinger's equation: 35. Physical functions; 36. Interference of probabilities for p and q; 37. General interference of probabilities; 38. Differential equations for Ψp (q) and Xq (p); 39. Differential equation for фβ (q); 40. The general probability amplitude Φβ' (Q); 41. Point transformations; 42. General theorem of interference; 43. Conjugate variables; 44. Schrödinger's equation for conservative systems; 45. Schrödinger's equation for non-conservative systems; 46. Pertubation theory; 47. Orthogonality, normalization and Hermitian conjugacy; 48. General matrix elements; Part IV. The Principle of Correspondence: 49. Contact transformations in classical mechanics; 50. Point transformations; 51. Contact transformations in quantum mechanics; 52. Constants of motion and angular co-ordinates; 53. Periodic orbits; 54. De Broglie and Schrödinger function; correspondence to classical mechanics; 55. Packets of probability; 56. Correspondence to hydrodynamics; 57. Motion and scattering of wave packets; 58. Formal correspondence between classical and quantum mechanics; Part V. Mathematical Appendix: Principle of Invariance: 59. The general theorem of transformation; 60. Operator calculus; 61. Exchange relations; three criteria for conjugacy; 62. First method of canonical transformation; 63. Second method of canonical transformation; 64. Proof of the transformation theorem; 65. Invariance of the matrix elements against unitary transformations; 66. Matrix mechanics; Index of literature; Index of names and subjects.

A theorem about Hamiltonian systems.

PubMed

Case, K M

1984-09-01

A simple theorem in Hamiltonian mechanics is pointed out. One consequence is a generalization of the classical result that symmetries are generated by Poisson brackets of conserved functionals. General applications are discussed. Special emphasis is given to the Kadomtsev-Petviashvili equation.

Wigner Distribution for Angle Coordinates in Quantum Mechanics.

ERIC Educational Resources Information Center

Mukunda, N.

1979-01-01

Shows how to extend Wigner distribution functions, and Weyl correspondence between quantum and classical variables, from the usual kind of canonically conjugate position and momentum operators to the case of an angle and angular momentum operator pair. (Author/GA)

Investigations in quantum games using EPR-type set-ups

NASA Astrophysics Data System (ADS)

Iqbal, Azhar

2006-04-01

Research in quantum games has flourished during recent years. However, it seems that opinion remains divided about their true quantum character and content. For example, one argument says that quantum games are nothing but 'disguised' classical games and that to quantize a game is equivalent to replacing the original game by a different classical game. The present thesis contributes towards the ongoing debate about quantum nature of quantum games by developing two approaches addressing the related issues. Both approaches take Einstein-Podolsky-Rosen (EPR)-type experiments as the underlying physical set-ups to play two-player quantum games. In the first approach, the players' strategies are unit vectors in their respective planes, with the knowledge of coordinate axes being shared between them. Players perform measurements in an EPR-type setting and their payoffs are defined as functions of the correlations, i.e. without reference to classical or quantum mechanics. Classical bimatrix games are reproduced if the input states are classical and perfectly anti-correlated, as for a classical correlation game. However, for a quantum correlation game, with an entangled singlet state as input, qualitatively different solutions are obtained. The second approach uses the result that when the predictions of a Local Hidden Variable (LHV) model are made to violate the Bell inequalities the result is that some probability measures assume negative values. With the requirement that classical games result when the predictions of a LHV model do not violate the Bell inequalities, our analysis looks at the impact which the emergence of negative probabilities has on the solutions of two-player games which are physically implemented using the EPR-type experiments.

A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamada, Atsushi; Kojima, Hidekazu; Okazaki, Susumu, E-mail: okazaki@apchem.nagoya-u.ac.jp

2014-08-28

In order to investigate proton transfer reaction in solution, mixed quantum-classical molecular dynamics calculations have been carried out based on our previously proposed quantum equation of motion for the reacting system [A. Yamada and S. Okazaki, J. Chem. Phys. 128, 044507 (2008)]. Surface hopping method was applied to describe forces acting on the solvent classical degrees of freedom. In a series of our studies, quantum and solvent effects on the reaction dynamics in solutions have been analysed in detail. Here, we report our mixed quantum-classical molecular dynamics calculations for intramolecular proton transfer of malonaldehyde in water. Thermally activated proton transfermore » process, i.e., vibrational excitation in the reactant state followed by transition to the product state and vibrational relaxation in the product state, as well as tunneling reaction can be described by solving the equation of motion. Zero point energy is, of course, included, too. The quantum simulation in water has been compared with the fully classical one and the wave packet calculation in vacuum. The calculated quantum reaction rate in water was 0.70 ps{sup −1}, which is about 2.5 times faster than that in vacuum, 0.27 ps{sup −1}. This indicates that the solvent water accelerates the reaction. Further, the quantum calculation resulted in the reaction rate about 2 times faster than the fully classical calculation, which indicates that quantum effect enhances the reaction rate, too. Contribution from three reaction mechanisms, i.e., tunneling, thermal activation, and barrier vanishing reactions, is 33:46:21 in the mixed quantum-classical calculations. This clearly shows that the tunneling effect is important in the reaction.« less