scholarly journals Thermal properties of halogen-ethane glassy crystals: Effects of orientational disorder and the role of internal molecular degrees of freedom

2015 ◽  
Vol 143 (8) ◽  
pp. 084510 ◽  
Author(s):  
G. A. Vdovichenko ◽  
A. I. Krivchikov ◽  
O. A. Korolyuk ◽  
J. Ll. Tamarit ◽  
L. C. Pardo ◽  
...  
Keyword(s):  
Thermal Properties ◽  
Degrees Of Freedom ◽  
Orientational Disorder ◽  
Glassy Crystals

On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulations

2019 ◽  
Author(s):  
Riccardo Spezia ◽  
Hichem Dammak
Keyword(s):  
Degrees Of Freedom ◽  
Molecular Simulations ◽  
Zero Point ◽  
Thermal Bath ◽  
Unimolecular Dissociation ◽  
Point Energy ◽  
Rotational Degrees Of Freedom ◽  
The Difference ◽  
Nuclear Effects

<div> <div> <div> <p>In the present work we have investigated the possibility of using the Quantum Thermal Bath (QTB) method in molecular simulations of unimolecular dissociation processes. Notably, QTB is aimed in introducing quantum nuclear effects with a com- putational time which is basically the same as in newtonian simulations. At this end we have considered the model fragmentation of CH4 for which an analytical function is present in the literature. Moreover, based on the same model a microcanonical algorithm which monitor zero-point energy of products, and eventually modifies tra- jectories, was recently proposed. We have thus compared classical and quantum rate constant with these different models. QTB seems to correctly reproduce some quantum features, in particular the difference between classical and quantum activation energies, making it a promising method to study unimolecular fragmentation of much complex systems with molecular simulations. The role of QTB thermostat on rotational degrees of freedom is also analyzed and discussed. </p> </div> </div> </div>

scholarly journals Dzyaloshinskii–Moriya interaction in noncentrosymmetric superlattices

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Woo Seung Ham ◽  
Abdul-Muizz Pradipto ◽  
Kay Yakushiji ◽  
Kwangsu Kim ◽  
Sonny H. Rhim ◽  
...  
Keyword(s):  
Heavy Metal ◽  
Degrees Of Freedom ◽  
Orbit Coupling ◽  
Inversion Symmetry ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Band Formation ◽  
Research Activities ◽  
Moriya Interaction

AbstractDzyaloshinskii–Moriya interaction (DMI) is considered as one of the most important energies for specific chiral textures such as magnetic skyrmions. The keys of generating DMI are the absence of structural inversion symmetry and exchange energy with spin–orbit coupling. Therefore, a vast majority of research activities about DMI are mainly limited to heavy metal/ferromagnet bilayer systems, only focusing on their interfaces. Here, we report an asymmetric band formation in a superlattices (SL) which arises from inversion symmetry breaking in stacking order of atomic layers, implying the role of bulk-like contribution. Such bulk DMI is more than 300% larger than simple sum of interfacial contribution. Moreover, the asymmetric band is largely affected by strong spin–orbit coupling, showing crucial role of a heavy metal even in the non-interfacial origin of DMI. Our work provides more degrees of freedom to design chiral magnets for spintronics applications.

scholarly journals A Superfluid Perspective on Neutron Star Dynamics

Universe ◽  
2021 ◽  
Vol 7 (1) ◽  
pp. 17
Author(s):  
Nils Andersson
Keyword(s):  
Neutron Star ◽  
Degrees Of Freedom ◽  
Temperature Scale ◽  
Fluid System ◽  
Fluid Core ◽  
State Of Matter ◽  
Entrainment Effect ◽  
Neutron Component ◽  
The Impact

As mature neutron stars are cold (on the relevant temperature scale), one has to carefully consider the state of matter in their interior. The outer kilometre or so is expected to freeze to form an elastic crust of increasingly neutron-rich nuclei, coexisting with a superfluid neutron component, while the star’s fluid core contains a mixed superfluid/superconductor. The dynamics of the star depend heavily on the parameters associated with the different phases. The presence of superfluidity brings new degrees of freedom—in essence we are dealing with a complex multi-fluid system—and additional features: bulk rotation is supported by a dense array of quantised vortices, which introduce dissipation via mutual friction, and the motion of the superfluid is affected by the so-called entrainment effect. This brief survey provides an introduction to—along with a commentary on our current understanding of—these dynamical aspects, paying particular attention to the role of entrainment, and outlines the impact of superfluidity on neutron-star seismology.

scholarly journals Role of the Anilinium Ion on the Selective Polymerization of Anilinium 2-Acrylamide-2-methyl-1-propanesulfonate

Polymers ◽  
2021 ◽  
Vol 13 (14) ◽  
pp. 2349
Author(s):  
Alain Salvador Conejo-Dávila ◽  
Marco Armando Moya-Quevedo ◽  
David Chávez-Flores ◽  
Alejandro Vega-Rios ◽  
Erasto Armando Zaragoza-Contreras
Keyword(s):  
Cyclic Voltammetry ◽  
Optical Properties ◽  
Thermal Properties ◽  
Free Radical ◽  
1H Nmr ◽  
Molecular Interactions ◽  
13C Nmr ◽  
Oxidative Polymerization ◽  
Cyclic Voltammetry Analysis

The development of anilinium 2-acrylamide-2-methyl-1-propanesulfonate (Ani-AMPS) monomer, confirmed by 1H NMR, 13C NMR, and FTIR, is systematically studied. Ani-AMPS contains two polymerizable functional groups, so it was submitted to selective polymerization either by free-radical or oxidative polymerization. Therefore, poly(anilinium 2-acrylamide-2-methyl-1-propanesulfonic) [Poly(Ani-AMPS)] and polyaniline doped with 2-acrylamide-2-methyl-1-propanesulfonic acid [PAni-AMPS] can be obtained. First, the acrylamide polymer, poly(Ani-AMPS), favored the π-stacking of the anilinium group produced by the inter- and intra-molecular interactions and was studied utilizing 1H NMR, 13C NMR, FTIR, and UV-Vis-NIR. Furthermore, poly(Ani-AMPS) fluorescence shows quenching in the presence of Fe2+ and Fe3+ in the emission spectrum at 347 nm. In contrast, the typical behavior of polyaniline is observed in the cyclic voltammetry analysis for PAni-AMPS. The optical properties also show a significant change at pH 4.4. The PAni-AMPS structure was corroborated through FTIR, while the thermal properties and morphology were analyzed utilizing TGA, DSC (except PAni-AMPS), and FESEM.

scholarly journals Higher spins from exotic dualisations

2021 ◽  
Vol 2021 (3) ◽  
Author(s):  
Nicolas Boulanger ◽  
Victor Lekeu
Keyword(s):  
Infinite Number ◽  
Arbitrary Number ◽  
Degrees Of Freedom ◽  
Young Tableaux ◽  
Spacetime Dimension ◽  
Massless Field ◽  
Free Level ◽  
Higher Spins

Abstract At the free level, a given massless field can be described by an infinite number of different potentials related to each other by dualities. In terms of Young tableaux, dualities replace any number of columns of height hi by columns of height D − 2 − hi, where D is the spacetime dimension: in particular, applying this operation to empty columns gives rise to potentials containing an arbitrary number of groups of D − 2 extra antisymmetric indices. Using the method of parent actions, action principles including these potentials, but also extra fields, can be derived from the usual ones. In this paper, we revisit this off-shell duality and clarify the counting of degrees of freedom and the role of the extra fields. Among others, we consider the examples of the double dual graviton in D = 5 and two cases, one topological and one dynamical, of exotic dualities leading to spin three fields in D = 3.

Choice and privatisation in Swedish primary care

2010 ◽  
Vol 6 (4) ◽  
pp. 549-569 ◽  
Author(s):  
Anders Anell
Keyword(s):  
Primary Care ◽  
Clinical Practice ◽  
Financial Incentives ◽  
Degrees Of Freedom ◽  
New Wave ◽  
Improve Performance ◽  
Financial Responsibility ◽  
New Models ◽  
Financial Characteristics

AbstractIn 2007, a new wave of local reforms involving choice for the population and privatisation of providers was initiated in Swedish primary care. Important objectives behind reforms were to strengthen the role of primary care and to improve performance in terms of access and responsiveness. The purpose of this article was to compare the characteristics of the new models and to discuss changes in financial incentives for providers and challenges regarding governance from the part of county councils. A majority of the models being introduced across the 21 county councils can best be described as innovative combinations between a comprehensive responsibility for providers and significant degrees of freedom regarding choice for the population. Key financial characteristics of fixed payment and comprehensive financial responsibility for providers may create financial incentives to under-provide care. Informed choices by the population, in combination with reasonably low barriers for providers to enter the primary care market, should theoretically counterbalance such incentives. To facilitate such competition is indeed a challenge, not only because of difficulties in implementing informed choices but also because the new models favour large and/or horizontally integrated providers. To prevent monopolistic behaviour, county councils may have to accept more competition as well as more governance over clinical practice than initially intended.

scholarly journals From Loschmidt daemons to time-reversed waves

2016 ◽  
Vol 374 (2069) ◽  
pp. 20150156 ◽  
Author(s):  
Mathias Fink
Keyword(s):  
Wave Propagation ◽  
Time Reversal ◽  
Degrees Of Freedom ◽  
Point Of View ◽  
Propagation Time ◽  
Reversal Invariance ◽  
Spatial Boundary ◽  
Dual Approaches ◽  
Spatio Temporal

Time-reversal invariance can be exploited in wave physics to control wave propagation in complex media. Because time and space play a similar role in wave propagation, time-reversed waves can be obtained by manipulating spatial boundaries or by manipulating time boundaries. The two dual approaches will be discussed in this paper. The first approach uses ‘time-reversal mirrors’ with a wave manipulation along a spatial boundary sampled by a finite number of antennas. Related to this method, the role of the spatio-temporal degrees of freedom of the wavefield will be emphasized. In a second approach, waves are manipulated from a time boundary and we show that ‘instantaneous time mirrors’, mimicking the Loschmidt point of view, simultaneously acting in the entire space at once can also radiate time-reversed waves.

scholarly journals Monitoring dispersive samples with single photons: the role of frequency correlations

2017 ◽  
Vol 4 (1) ◽  
Author(s):  
Emanuele Roccia ◽  
Marco G. Genoni ◽  
Luca Mancino ◽  
Ilaria Gianani ◽  
Marco Barbieri ◽  
...  
Keyword(s):  
Degrees Of Freedom ◽  
Simultaneous Estimation ◽  
Single Photons ◽  
Estimation Scheme ◽  
Correlation Parameters ◽  
Two Parameters ◽  
Quantum Limits ◽  
Cramer Rao Bound ◽  
Down Conversion

AbstractThe physics that governs quantum monitoring may involve other degrees of freedom than the ones initialised and controlled for probing. In this context we address the simultaneous estimation of phase and dephasing characterizing a dispersive medium, and we explore the role of frequency correlations within a photon pair generated via parametric down-conversion, when used as a probe for the medium. We derive the ultimate quantum limits on the estimation of the two parameters, by calculating the corresponding quantum Cramér-Rao bound; we then consider a feasible estimation scheme, based on the measurement of Stokes operators, and address its absolute performances in terms of the correlation parameters, and, more fundamentally, of the role played by correlations in the simultaneous achievability of the quantum Cramér- Rao bounds for each of the two parameters.

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