Terms Of Quantum Mechanics Research Articles

Thermophysical Properties of Amorphous‐Paracrystalline Celluloses by Molecular Dynamics

AbstractFor the engineering and process design of chemical and pharmaceutical plants, the knowledge of thermophysical properties is essential. Here, glass transition temperature (Tg), curves of heat capacity (Cp), isotropic thermal expansion (∝p), and isothermal compressibility (βT) are computed for amorphous/paracrystalline (Am‐Par) structures of cellulose over a wide range of temperature (380–680 K) using molecular dynamics with the CHARMM36 (C36) force field (FF). The fluctuation method under the NPT ensemble is used to calculate Cp, ∝p, and βT, whereas Tg is computed by monitoring specific volume versus temperature. Here, the fluctuation method is used with a quantum mechanical correction term for the calculation of Cp. Results of Cp, ∝p, and βT values at 298 K using extrapolation from these curves are also obtained. The thermophysical properties values from the simulations are compared with experimental data for cellulose with different degree of crystallinity and with those obtained by prominent FFs suggested for cellulose, such as GLYCAM06 and COMPASS. The findings reveal that ∝p, βT, and Tg are somewhat better reproduced than Cp with C36 over the studied temperature range. From this study, it is inferred that, for accurate modeling of heat capacity of pure Am‐Par celluloses with large fragments of glucose, the C36 FF needs re‐parameterization.

Problem of the Direct Quantum-Information Transformation of Chemical Substance

Arthur Clark and Michael Kube–McDowell (“The Triger”, 2000) suggested the sci-fi idea about the direct transformation from a chemical substance to another by the action of a newly physical, “Trigger” field. Karl Brohier, a Nobel Prize winner, who is a dramatic persona in the novel, elaborates a new theory, re-reading and re-writing Pauling’s “The Nature of the Chemical Bond”; according to Brohier: “Information organizes and differentiates energy. It regularizes and stabilizes matter. Information propagates through matter-energy and mediates the interactions of matter-energy.” Dr Horton, his collaborator in the novel replies: “If the universe consists of energy and information, then the Trigger somehow alters the information envelope of certain substances –“. “Alters it, scrambles it, overwhelms it, destabilizes it” Brohier adds. There is a scientific debate whether or how far chemistry is fundamentally reducible to quantum mechanics. Nevertheless, the fact that many essential chemical properties and reactions are at least partly representable in terms of quantum mechanics is doubtless. For the quantum mechanics itself has been reformulated as a theory of a special kind of information, quantum information, chemistry might be in turn interpreted in the same terms. Wave function, the fundamental concept of quantum mechanics, can be equivalently defined as a series of qubits, eventually infinite. A qubit, being defined as the normed superposition of the two orthogonal subspaces of the complex Hilbert space, can be interpreted as a generalization of the standard bit of information as to infinite sets or series. All “forces” in the Standard model, which are furthermore essential for chemical transformations, are groups [U(1),SU(2),SU(3)] of the transformations of the complex Hilbert space and thus, of series of qubits. One can suggest that any chemical substances and changes are fundamentally representable as quantum information and its transformations. If entanglement is interpreted as a physical field, though any group above seems to be unattachable to it, it might be identified as the “Triger field”. It might cause a direct transformation of any chemical substance by from a remote distance. Is this possible in principle?

God, Logic, and Quantum Information

Quantum information is discussed as the universal substance of the world. It is interpreted as that generalization of classical information, which includes both finite and transfinite ordinal numbers. On the other hand, any wave function and thus any state of any quantum system is just one value of quantum information. Information and its generalization as quantum information are considered as quantities of elementary choices. Their units are correspondingly a bit and a qubit. The course of time is what generates choices by itself, thus quantum information and any item in the world in final analysis. The course of time generates necessarily choices so: The future is absolutely unorderable in principle while the past is always well-ordered and thus unchangeable. The present as the mediation between them needs the well-ordered theorem equivalent to the axiom of choice. The latter guarantees the choice even among the elements of an infinite set, which is the case of quantum information. The concrete and abstract objects share information as their common base, which is quantum as to the formers and classical as to the latters. The general quantities of matter in physics, mass and energy can be considered as particular cases of quantum information. The link between choice and abstraction in set theory allows of “Hume’s principle” to be interpreted in terms of quantum mechanics as equivalence of “many” and “much” underlying quantum information. Quantum information as the universal substance of the world calls for the unity of physics and mathematics rather than that of the concrete and abstract objects and thus for a form of quantum neo-Pythagoreanism in final analysis.

Quantum-Information Conservation. The Problem About ‘Hidden Variables’, or the ‘Conservation of Energy Conservation’ in Quantum Mechanics: A Historical Lesson for Future Discoveries

The explicit history of the “hidden variables” problem is well-known and established. The main events of its chronology are traced. An implicit context of that history is suggested. It links the problem with the “conservation of energy conservation” in quantum mechanics. Bohr, Kramers, and Slaters (1924) admitted its violation being due to the “fourth Heisenberg uncertainty”, that of energy in relation to time. Wolfgang Pauli rejected the conjecture and even forecast the existence of a new and unknown then elementary particle, neutrino, on the ground of energy conservation in quantum mechanics, afterwards confirmed experimentally. Bohr recognized his defeat and Pauli’s truth: the paradigm of elementary particles (furthermore underlying the Standard model) dominates nowadays. However, the reason of energy conservation in quantum mechanics is quite different from that in classical mechanics (the Lie group of all translations in time). Even more, if the reason was the latter, Bohr, Cramers, and Slatters’s argument would be valid. The link between the “conservation of energy conservation” and the problem of hidden variables is the following: the former is equivalent to their absence. The same can be verified historically by the unification of Heisenberg’s matrix mechanics and Schrodinger’s wave mechanics in the contemporary quantum mechanics by means of the separable complex Hilbert space. The Heisenberg version relies on the vector interpretation of Hilbert space, and the Schrodinger one, on the wave-function interpretation. However the both are equivalent to each other only under the additional condition that a certain well-ordering is equivalent to the corresponding ordinal number (as in Neumann’s definition of “ordinal number”). The same condition interpreted in the proper terms of quantum mechanics means its “unitarity”, therefore the “conservation of energy conservation”. In other words, the “conservation of energy conservation” is postulated in the foundations of quantum mechanics by means of the concept of the separable complex Hilbert space, which furthermore is equivalent to postulating the absence of hidden variables in quantum mechanics (directly deducible from the properties of that Hilbert space). Further, the lesson of that unification (of Heisenberg’s approach and Schrodinger’s version) can be directly interpreted in terms of the unification of general relativity and quantum mechanics in the cherished “quantum gravity” as well as a “manual” of how one can do this considering them as isomorphic to each other in a new mathematical structure corresponding to quantum information. Even more, the condition of the unification is analogical to that in the historical precedent of the unifying mathematical structure (namely the separable complex Hilbert space of quantum mechanics) and consists in the class of equivalence of any smooth deformations of the pseudo-Riemannian space of general relativity: each element of that class is a wave function and vice versa as well. Thus, quantum mechanics can be considered as a “thermodynamic version” of general relativity, after which the universe is observed as if “outside” (similarly to a phenomenological thermodynamic system observable only “outside” as a whole). The statistical approach to that “phenomenological thermodynamics” of quantum mechanics implies Gibbs classes of equivalence of all states of the universe, furthermore re-presentable in Boltzmann’s manner implying general relativity properly … The meta-lesson is that the historical lesson can serve for future discoveries.

Quantum Measurement as Marginalization and Nested Quantum Systems

In prior work, we have shown how the basic concepts and terms of quantum mechanics relate to factorizations and marginals of complex-valued quantum mass functions , which are generalizations of joint probability mass functions. In this paper, using quantum mass functions, we discuss the realization of measurements in terms of unitary interactions and marginalizations. It follows that classical measurement results strictly belong to local models, i.e., marginals of more detailed models. Classical variables that are created by marginalization do not exist in the unmarginalized model, and different marginalizations may yield incompatible classical variables. These observations are illustrated by the Frauchiger–Renner paradox, which is analyzed (and resolved) in terms of quantum mass functions. Throughout, the paper uses factor graphs to represent quantum systems/models with multiple measurements at different points in time.

Comment on “Quantum reciprocity relations for fluctuations of position and momentum”

The authors of this paper [M. Pandit et al., Phys. Rev. A 100, 012131 (2019)] proposed an alternative formulation of the uncertainty relation in quantum mechanics in terms of the Lipschitz constants. They evaluated these constants in various cases and decided that the product of the square roots of Lipschitz constants for position and momentum probability distributions is bounded below by $0.3/\ensuremath{\hbar}$. In this comment, I invalidate this claim by giving an example of wave functions for which the value of the product of the Lipschitz constants for position and momentum does not obey this bound and tends to zero.

Dispersion Forces: Neither Fluctuating Nor Dispersing

Dispersion forces are ubiquitous in chemistry, yet they are often misunderstood. This article provides background into why they are called dispersion forces and explains how to describe them in terms of time-independent quantum mechanics. The article also describes the breakdown of the multipole series that is often used to describe dispersion forces, and it comments on the representation of dispersion forces in molecular mechanics. In general, the article tries to provide a proper framework for understanding and describing dispersion forces.

A new chapter in the problem of the reduction of chemistry to physics: the Quantum Theory of Atoms in Molecules

Fil: Jaimes Arriaga, Jesus Alberto. Universidad de Buenos Aires. Facultad de Filosofia y Letras. Instituto de Filosofia Dr. Alejandro Korn; Argentina. Consejo Nacional de Investigaciones Cientificas y Tecnicas; Argentina

Российский парламентаризм как воля и представительство

What are the specific traits of Russian parliamentarism? They can be seen in the fact that the format of public interests representation in the framework of Russian authority paradigm has been and still is more or less effective format of control of the authorities as such (not only executive or judicial authority), control of the unified political and bureaucratic organism, of the vertical line of authority, whether autocratic, nomenclature or independent and democratic. This is the reason for the indeterminate state of Russian parliamentarism resembling some kind of Schroedinger parliamentarism: it simultaneously exists, developing and growing for the benefit of the country, and on-exists, remaining a kind of fiction and PR mold that undermines Russian state system. And, if speaking in terms of quantum mechanics, it can pass any time to a certain state and remain in history either quality.

Rotations of macromolecules affect nonspecific biological responses to magnetic fields

We have previously proposed that there are at least two initial molecular transduction mechanisms needed to explain specific and nonspecific biological effects of weak magnetic fields. For the specific effect associated with animal magnetic navigation, the radical pair mechanism is the leading hypothesis; it associates the specialised magnetic sense with the radical pairs located in the eye retina. In contrast to the magnetic sense, nonspecific effects occur through the interaction of magnetic fields with magnetic moments dispersed over the organism. However, it is unlikely that the radical pair mechanism can explain such nonspecific phenomena. In order to explain these, we further develop our physical model for the case of magnetic moments residing in rotating molecules. It is shown that, in some conditions, the precession of the magnetic moments that reside on rotating molecules can be slowed relative to the immediate biophysical structures. In terms of quantum mechanics this corresponds to the mixing of the quantum levels of magnetic moments. Hence this mechanism is called the Level Mixing Mechanism, or the LMM. The results obtained are magnetic field-dependences that are in good agreement with known experiments where biological effects arise in response to the reversal of the magnetic field vector.

Quantum noise of parametric amplification in a phase-sensitive/insensitive intermediate condition

Phase-sensitive amplification (PSA) is a particular type of optical parametric amplification (OPA) that features a low-noise property such that the quantum-limited noise figure is 0 dB. The PSA operation is typically achieved when the signal and idler spectra are degenerate in optical parametric interactions, i.e., the degenerate OPA condition. However, for a spectrally broadened incident light, these two spectra can be partially degenerate. The present work investigates the noise property of OPA in such conditions in terms of quantum mechanics. The results quantitatively indicate the intermediate properties between PSA and phase-insensitive amplification.

Surface Reconstruction for Preparation of Plasmonic Au/TiO₂ Nanoparticle with Perfect Hetero Interface and Improved Photocatalytic Capacity.

The photocatalytic activity of plasmonic Au/TiO2 nanoparticles (NPs) is dependent on distances between Au and TiO2. The preparation of plasmonic NPs is still a challenge because of an inherent lattice mismatch on heterogeneous interfaces. The combination between Au and TiO2 NPs often exhibits physical adsorption, which affect block the electron transferring process by photo-induction from TiO2 to Au NPs and weaken the photocatalytic activity. In this work an approach for preparing plasmonic Au/TiO2 NPs with perfect hetero-interface was proposed based on reconstruction of anatase TiO2 with (101) surface and in-situ reduction of Au NPs. Under UV-irradiation, anatase TiO2 NPs with a high percentage of (001) facets in formaldehyde solution undergo photochemical reactions to reconstruct the (101) surface of TiO2 and simultaneously allow polyformaldehyde to absorb on the same surface. Thus, Au(OH)-4 ions could be adsorbed on the (101) surfaces of TiO2 through electrostatic adsorption and reduced to form nano-Au in situ after recrystallization at 180 °C. The high-resolution transmission electron microscopy (HRTEM) images showed clear nanoscale lattice transition on heterogeneous interfaces of Au/TiO2 NPs. The surface structure of TiO2 NPs and the growth mechanism of Au/TiO2 NPs were evaluated with HRTEM, X-ray photoelectron spectra (XPS) and Fourier transform infrared spectroscopy (FTIR). It was demonstrated that the as-prepared plasmonic Au/TiO2 NPs had higher photocatalytic activity and corrosion resistance in comparison with primary TiO2 NPs by photo-electrochemical measurements. The reinforcing mechanism could be interpreted with Mott-Schottky analysis in terms of quantum mechanics. Our study implied that the reconstruction based synthesis may open up more opportunities to obtain lattice-mismatch nanomaterials for photocatalysis.

Quantum noise of Raman amplification in a fiber transmission line

Raman amplification in a fiber transmission line is described in terms of quantum mechanics. The evolution of the light field operator is derived on the basis of the Heisenberg equation, including Raman interaction and a beam-splitter model that simulates the fiber propagation loss. The light field operator thus derived is then used to evaluate physical quantities, such as mean amplitude, mean photon number, and their variances. The results obtained are equivalent to conventional classical expressions, providing a logical quantum mechanical base for the conventional phenomenological treatment. In addition, the effect of the propagation loss on quantum noise is clarified, which is not taken into account in the classical treatment.

On Ontological Alternatives to Bohmian Mechanics.

The article describes an interpretation of the mathematical formalism of standard quantum mechanics in terms of relations. In particular, the wave function is interpreted as a complex-valued relation between an entity (often called “particle”) and a second entity x (often called “spatial point”). Such complex-valued relations can also be formulated for classical physical systems. Entanglement is interpreted as a relation between two entities (particles or properties of particles). Such relations define the concept of “being next to each other”, which implies that entangled entities are close to each other, even though they might appear to be far away with respect to a classical background space. However, when space is also considered to be a network of relations (of which the classical background space is a large-scale continuum limit), such nearest neighbor configurations are possible. The measurement problem is discussed from the perspective of this interpretation. It should be emphasized that this interpretation is not meant to be a serious attempt to describe the ontology of our world, but its purpose is to make it obvious that, besides Bohmian mechanics, presumably many other ontological interpretations of quantum theory exist.

Comparing the Schrödinger and Dirac Descriptions of an Electron in a Uniform Magnetic Field

Abstract In this article we present a detailed description, using ladder operators, of an electron in a uniform magnetic field evolving under the Schrodinger equation. We go on to describe the same physical system in terms of relativistic quantum mechanics using the Dirac equation and to compare the two models in detail. The main differences between these two quantum mechanical approaches are discussed and we observe specifically how the relativistic phenomena modify the description of this particular quantum system by isolating effects which only exist in the relativistic model.

Control of plant leaf movements by the lunisolar tidal force.

Background Investigations into the diurnal ascent and descent of leaves of beans and other species, as well as experimental interventions into these movements, such as exposures to light at different times during the movement cycle, led to the concept of an endogenous 'clock' as a regulator of these oscillations. The causal origin of leaf movement can be traced to processes that modulate cell volume in target tissues of the pulvinus and petiole. However, these elements of the leaf-movement process do not sufficiently account for the rhythms that are generated following germination in constant light or dark conditions, or when plants are transferred to similar free-running conditions. Scope To further unravel the regulation of leaf-movement rhythms, many of the published time courses of leaf movements that provided evidence for the concept of the endogenous clock were analysed in conjunction with the contemporaneous time courses of the lunisolar tidal acceleration. This was accomplished by application of the Etide program, which estimates, with high temporal resolution, local gravitational changes as a consequence of the diurnal variations of the lunisolar gravitational force due to the orbits and relative positions of Earth, Moon and Sun. To substantiate the results obtained in earthbound laboratories additional experiments were performed in the International Space Station (ISS). Tidal recurrence within the ISS exhibited a periodicity of 45 min. In all instances investigated, it was evident that a synchronism exists between the times of the turning points of both the lunisolar tide and of the leaftide when the direction of leaf movement changes. This finding of synchrony documents that the lunisolar tide is a regulator of the leaftide, and that the rhythm of leaf movement is not of endogenous origin but is an expression of an exogenous lunisolar clock impressed upon the leaf-movement apparatus. Conclusions A huge number of correlations between leaftide and Etide time courses were established for leaf movement rhythms in natural conditions of the greenhouse, in conditions of constant light or dark, and under the microgravity conditions of the International Space Station. Even the apparently spontaneous short-period, small-amplitude rhythms recorded from leaves under unusual growth conditions are consistent with the hypothesis of a lunisolar zeitgeber. Synchronism between leaftide and Etide is discussed in terms of classical and quantum mechanics.

Why molecular structure cannot be strictly reduced to quantum mechanics

Perhaps the hottest topic in the philosophy of chemistry is that of the relationship between chemistry and physics. The problem finds one of its main manifestations in the debate about the nature of molecular structure, given by the spatial arrangement of the nuclei in a molecule. The traditional strategy to address the problem is to consider chemical cases that challenge the definition of molecular structure in quantum–mechanical terms. Instead of taking that top-down strategy, in this paper we face the problem of the reduction of molecular structure to quantum mechanics from a bottom-up perspective: our aim is to show how the theoretical peculiarities of quantum mechanics stand against the possibility of molecular structure, defined in terms of the spatial relations of the nuclei conceived as individual localized objects. We will argue that, according to the theory, quantum “particles” are not individuals that can be identified as different from others and that can be reidentified through time; therefore, they do not have the ontological stability necessary to maintain the relations that can lead to a spatially definite system with an identifiable shape. On the other hand, although quantum chemists use the resources supplied by quantum mechanics with successful results, this does no mean reduction: their “approximations” add certain assumptions that are not justified in the context of quantum mechanics or are even inconsistent with the very formal structure of the theory.

Control of plant leaf movements by the lunisolar tidal force.

Investigations into the diurnal ascent and descent of leaves of beans and other species, as well as experimental interventions into these movements, such as exposures to light at different times during the movement cycle, led to the concept of an endogenous 'clock' as a regulator of these oscillations. The causal origin of leaf movement can be traced to processes that modulate cell volume in target tissues of the pulvinus and petiole. However, these elements of the leaf-movement process do not sufficiently account for the rhythms that are generated following germination in constant light or dark conditions, or when plants are transferred to similar free-running conditions. To further unravel the regulation of leaf-movement rhythms, many of the published time courses of leaf movements that provided evidence for the concept of the endogenous clock were analysed in conjunction with the contemporaneous time courses of the lunisolar tidal acceleration. This was accomplished by application of the Etide program, which estimates, with high temporal resolution, local gravitational changes as a consequence of the diurnal variations of the lunisolar gravitational force due to the orbits and relative positions of Earth, Moon and Sun. To substantiate the results obtained in earthbound laboratories additional experiments were performed in the International Space Station (ISS). Tidal recurrence within the ISS exhibited a periodicity of 45 min. In all instances investigated, it was evident that a synchronism exists between the times of the turning points of both the lunisolar tide and of the leaftide when the direction of leaf movement changes. This finding of synchrony documents that the lunisolar tide is a regulator of the leaftide, and that the rhythm of leaf movement is not of endogenous origin but is an expression of an exogenous lunisolar clock impressed upon the leaf-movement apparatus. A huge number of correlations between leaftide and Etide time courses were established for leaf movement rhythms in natural conditions of the greenhouse, in conditions of constant light or dark, and under the microgravity conditions of the International Space Station. Even the apparently spontaneous short-period, small-amplitude rhythms recorded from leaves under unusual growth conditions are consistent with the hypothesis of a lunisolar zeitgeber. Synchronism between leaftide and Etide is discussed in terms of classical and quantum mechanics.

A note on Sachdev–Ye–Kitaev like model without random coupling

We study a description of the large N limit of the Sachdev–Ye–Kitaev (SYK) model in terms of quantum mechanics without quenched disorder. Instead of random couplings, we introduce massive scalar fields coupled to fermions, and study a small mass limit of the theory. We show that, under a certain condition, the correlation functions of fermions reproduce those of the SYK model with a temperature dependent coupling constant in the large N limit. We also discuss a supersymmetric generalization of our quantum mechanical model. As a byproduct, we develop an efficient way of estimating the large N behavior of correlators in the SYK model.

Quantum Theory From a Non-Conventional Perspective

Quantum mechanics is essentially described in terms of complex quantities like wave functions. The interesting point is that phase and amplitude of the complex quantities are not independent of each other, but coupled by some kind of conservation law. This coupling exists in time-independent quantum mechanics as well as in in its time-dependent form. It can be traced back to a reformulation of quantum mechanics in terms of complex nonlinear Riccati equations, where the quadratic term in the latter equation explains the origin of the phase-amplitude coupling. Since realistic physical systems are always in contact with some kind of environment this aspect is also taken into account. It turns out that this dissipative effect can either affect the amplitude or the phase of the complex quantity describing the open quantum system. This suggests a relation between non-unitary transformations and gauge-transformations for these systems. A change of the amplitude also seems to be connected with a second quantum of action for “radial” changes, compared to ħ for “angular” changes, leading to an interpretation of Sommerfeld’s constant.