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Keywords = entanglement monotones

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34 pages, 1302 KiB  
Article
Integrated Information in Relational Quantum Dynamics (RQD)
by Arash Zaghi
Appl. Sci. 2025, 15(13), 7521; https://doi.org/10.3390/app15137521 - 4 Jul 2025
Viewed by 308
Abstract
We introduce a quantum integrated-information measure Φ for multipartite states within the Relational Quantum Dynamics (RQD) framework. Φ(ρ) is defined as the minimum quantum Jensen–Shannon distance between an n-partite density operator ρ and any product state over a bipartition of [...] Read more.
We introduce a quantum integrated-information measure Φ for multipartite states within the Relational Quantum Dynamics (RQD) framework. Φ(ρ) is defined as the minimum quantum Jensen–Shannon distance between an n-partite density operator ρ and any product state over a bipartition of its subsystems. We prove that its square root induces a genuine metric on state space and that Φ is monotonic under all completely positive trace-preserving maps. Restricting the search to bipartitions yields a unique optimal split and a unique closest product state. From this geometric picture, we derive a canonical entanglement witness directly tied to Φ and construct an integration dendrogram that reveals the full hierarchical correlation structure of ρ. We further show that there always exists an “optimal observer”—a channel or basis—that preserves Φ better than any alternative. Finally, we propose a quantum Markov blanket theorem: the boundary of the optimal bipartition isolates subsystems most effectively. Our framework unites categorical enrichment, convex-geometric methods, and operational tools, forging a concrete bridge between integrated information theory and quantum information science. Full article
(This article belongs to the Special Issue Quantum Communication and Quantum Information)
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13 pages, 3021 KiB  
Article
Finite Element Modeling of Acoustic Nonlinearity Derived from Plastic Deformation of 35CrMoA Steel
by Shumin Yu, Lei Hu, Xingbin Yang and Xiangyu Ji
Metals 2025, 15(4), 343; https://doi.org/10.3390/met15040343 - 21 Mar 2025
Viewed by 329
Abstract
Acoustic nonlinearity derived from microstructural evolution of metallic materials during plastic deformation has been found to be a promising nondestructive technique to identify early stage plastic damage in metallic structural components. In the current investigation, the propagation of longitudinal ultrasonic waves in plastically [...] Read more.
Acoustic nonlinearity derived from microstructural evolution of metallic materials during plastic deformation has been found to be a promising nondestructive technique to identify early stage plastic damage in metallic structural components. In the current investigation, the propagation of longitudinal ultrasonic waves in plastically deformed 35CrMoA steel plates was simulated using finite element (FE) methods based on the theory of dislocation-induced acoustic nonlinearity to establish the relationship between acoustic nonlinearity parameters and plastic strain. Experiments were conducted to validate the numerical model. Both simulated and experimental results demonstrate a monotonic increase in the acoustic nonlinearity parameter with applied plastic strain. The simulated ultrasonic nonlinear parameters deviate from experimental measurements in a two-stage pattern. In the low-strain regime (plastic strain < 8.5%), FE predictions underestimate experimental values, possibly due to dislocation entanglement in high-density regions that restricts dislocation mobility and suppresses acoustic nonlinearity. The FE model overestimates the parameters when plastic strain exceeds about 8.5%. This reversal is related to the formation of dislocation cells and walls with enhanced acoustic nonlinearity. Full article
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8 pages, 1781 KiB  
Article
Local Entanglement of Electrons in 1D Hydrogen Molecule
by Ivan P. Christov
Entropy 2023, 25(9), 1308; https://doi.org/10.3390/e25091308 - 8 Sep 2023
Viewed by 1925
Abstract
The quantum entanglement entropy of the electrons in a one-dimensional hydrogen molecule is quantified locally using an appropriate partitioning of the two-dimensional configuration space. Both the global and the local entanglement entropy exhibit a monotonic increase when increasing the inter-nuclear distance, while the [...] Read more.
The quantum entanglement entropy of the electrons in a one-dimensional hydrogen molecule is quantified locally using an appropriate partitioning of the two-dimensional configuration space. Both the global and the local entanglement entropy exhibit a monotonic increase when increasing the inter-nuclear distance, while the local entropy remains peaked in the middle between the nuclei with its width decreasing. Our findings show that at the inter-nuclear distance where a stable hydrogen molecule is formed, the quantum entropy shows no peculiarity thus indicating that the entropy and the energy measures display different sensitivity with respect to the interaction between the two identical electrons involved. One possible explanation is that the calculation of the quantum entropy does not account explicitly for the distance between the nuclei, which contrasts to the total energy calculation where the energy minimum depends decisively on that distance. The numerically exact and the time-dependent quantum Monte Carlo calculations show close results. Full article
(This article belongs to the Special Issue Editorial Board Members' Collection Series on Quantum Entanglement)
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29 pages, 17353 KiB  
Article
Molecular Processes Leading to Shear Banding in Entangled Polymeric Solutions
by Mahdi Boudaghi, Brian J. Edwards and Bamin Khomami
Polymers 2023, 15(15), 3264; https://doi.org/10.3390/polym15153264 - 31 Jul 2023
Viewed by 1984
Abstract
The temporal and spatial evolution of shear banding during startup and steady-state shear flow was studied for solutions of entangled, linear, monodisperse polyethylene C3000H6002 dissolved in hexadecane and benzene solvents. A high-fidelity coarse-grained dissipative particle dynamics method was developed and [...] Read more.
The temporal and spatial evolution of shear banding during startup and steady-state shear flow was studied for solutions of entangled, linear, monodisperse polyethylene C3000H6002 dissolved in hexadecane and benzene solvents. A high-fidelity coarse-grained dissipative particle dynamics method was developed and evaluated based on previous NEMD simulations of similar solutions. The polymeric contribution to shear stress exhibited a monotonically increasing flow curve with a broad stress plateau at intermediate shear rates. For startup shear flow, transient shear banding was observed at applied shear rates within the steady-state shear stress plateau. Shear bands were generated at strain values where the first normal stress difference exhibited a maximum, with lifetimes persisting for up to several hundred strain units. During the lifetime of the shear bands, an inhomogeneous concentration distribution was evident within the system, with higher polymer concentration in the slow bands at low effective shear rate; i.e., γ˙<τR1, and vice versa at high shear rate. At low values of applied shear rate, a reverse flow phenomenon was observed in the hexadecane solution, which resulted from elastic recoil of the molecules within the slow band. In all cases, the shear bands dissipated at high strains and the system attained steady-state behavior, with a uniform, linear velocity profile across the simulation cell and a homogeneous concentration. Full article
(This article belongs to the Special Issue Rheological Properties of Polymers and Polymer Composites)
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22 pages, 560 KiB  
Article
On Quantum Entropy
by Davi Geiger and Zvi M. Kedem
Entropy 2022, 24(10), 1341; https://doi.org/10.3390/e24101341 - 23 Sep 2022
Cited by 5 | Viewed by 6452
Abstract
Quantum physics, despite its intrinsically probabilistic nature, lacks a definition of entropy fully accounting for the randomness of a quantum state. For example, von Neumann entropy quantifies only the incomplete specification of a quantum state and does not quantify the probabilistic distribution of [...] Read more.
Quantum physics, despite its intrinsically probabilistic nature, lacks a definition of entropy fully accounting for the randomness of a quantum state. For example, von Neumann entropy quantifies only the incomplete specification of a quantum state and does not quantify the probabilistic distribution of its observables; it trivially vanishes for pure quantum states. We propose a quantum entropy that quantifies the randomness of a pure quantum state via a conjugate pair of observables/operators forming the quantum phase space. The entropy is dimensionless, it is a relativistic scalar, it is invariant under canonical transformations and under CPT transformations, and its minimum has been established by the entropic uncertainty principle. We expand the entropy to also include mixed states. We show that the entropy is monotonically increasing during a time evolution of coherent states under a Dirac Hamiltonian. However, in a mathematical scenario, when two fermions come closer to each other, each evolving as a coherent state, the total system’s entropy oscillates due to the increasing spatial entanglement. We hypothesize an entropy law governing physical systems whereby the entropy of a closed system never decreases, implying a time arrow for particle physics. We then explore the possibility that as the oscillations of the entropy must by the law be barred in quantum physics, potential entropy oscillations trigger annihilation and creation of particles. Full article
(This article belongs to the Special Issue Nature of Entropy and Its Direct Metrology)
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9 pages, 1100 KiB  
Article
Experimental Investigation of the Robustness of a New Bell-Type Inequality of Triphoton GHZ States in Open Systems
by Jiaqiang Zhao, Meijiao Wang, Lianzhen Cao, Yang Yang, Xia Liu, Qinwei Zhang, Huaixin Lu and Kellie Ann Driscoll
Entropy 2021, 23(11), 1514; https://doi.org/10.3390/e23111514 - 15 Nov 2021
Cited by 1 | Viewed by 2692
Abstract
Knowing the level of entanglement robustness against quantum bit loss or decoherence mechanisms is an important issue for any application of quantum information. Fidelity of states can be used to judge whether there is entanglement in multi-particle systems. It is well known that [...] Read more.
Knowing the level of entanglement robustness against quantum bit loss or decoherence mechanisms is an important issue for any application of quantum information. Fidelity of states can be used to judge whether there is entanglement in multi-particle systems. It is well known that quantum channel security in QKD can be estimated by measuring the robustness of Bell-type inequality against noise. We experimentally investigate a new Bell-type inequality (NBTI) in the three-photon Greenberger–Horne–Zeilinger (GHZ) states with different levels of spin-flip noise. The results show that the fidelity and the degree of violation of the NBTI decrease monotonically with the increase of noise intensity. They also provide a method to judge whether there is entanglement in three-particle mixed states. Full article
(This article belongs to the Special Issue Dynamics of Quantum Correlations in Open Systems)
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20 pages, 1609 KiB  
Article
Shear-Thinning in Oligomer Melts—Molecular Origins and Applications
by Ranajay Datta, Leonid Yelash, Friederike Schmid, Florian Kummer, Martin Oberlack, Mária Lukáčová-Medvid’ová and Peter Virnau
Polymers 2021, 13(16), 2806; https://doi.org/10.3390/polym13162806 - 20 Aug 2021
Cited by 22 | Viewed by 3701
Abstract
We investigate the molecular origin of shear-thinning in melts of flexible, semiflexible and rigid oligomers with coarse-grained simulations of a sheared melt. Entanglements, alignment, stretching and tumbling modes or suppression of the latter all contribute to understanding how macroscopic flow properties emerge from [...] Read more.
We investigate the molecular origin of shear-thinning in melts of flexible, semiflexible and rigid oligomers with coarse-grained simulations of a sheared melt. Entanglements, alignment, stretching and tumbling modes or suppression of the latter all contribute to understanding how macroscopic flow properties emerge from the molecular level. In particular, we identify the rise and decline of entanglements with increasing chain stiffness as the major cause for the non-monotonic behaviour of the viscosity in equilibrium and at low shear rates, even for rather small oligomeric systems. At higher shear rates, chains align and disentangle, contributing to shear-thinning. By performing simulations of single chains in shear flow, we identify which of these phenomena are of collective nature and arise through interchain interactions and which are already present in dilute systems. Building upon these microscopic simulations, we identify by means of the Irving–Kirkwood formula the corresponding macroscopic stress tensor for a non-Newtonian polymer fluid. Shear-thinning effects in oligomer melts are also demonstrated by macroscopic simulations of channel flows. The latter have been obtained by the discontinuous Galerkin method approximating macroscopic polymer flows. Our study confirms the influence of microscopic details in the molecular structure of short polymers such as chain flexibility on macroscopic polymer flows. Full article
(This article belongs to the Special Issue Semiflexible Polymers II)
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14 pages, 444 KiB  
Article
Multipartite Entanglement Generation in a Structured Environment
by Shijiao Wang, Xiao San Ma and Mu-Tian Cheng
Entropy 2020, 22(2), 191; https://doi.org/10.3390/e22020191 - 7 Feb 2020
Viewed by 3062
Abstract
In this paper, we investigate the entanglement generation of n-qubit states in a model consisting of n independent qubits, each coupled to a harmonic oscillator which is in turn coupled to a bath of N additional harmonic oscillators with nearest-neighbor coupling. With [...] Read more.
In this paper, we investigate the entanglement generation of n-qubit states in a model consisting of n independent qubits, each coupled to a harmonic oscillator which is in turn coupled to a bath of N additional harmonic oscillators with nearest-neighbor coupling. With analysis, we can find that the steady multipartite entanglement with different values can be generated after a long-time evolution for different sizes of the quantum system. Under weak coupling between the system and the harmonic oscillator, multipartite entanglement can monotonically increase from zero to a stable value. Under strong coupling, multipartite entanglement generation shows a speed-up increase accompanied by some oscillations as non-Markovian behavior. Our results imply that the strong coupling between the harmonic oscillator and the N additional harmonic oscillators, and the large size of the additional oscillators will enhance non-Markovian dynamics and make it take a very long time for the entanglement to reach a stable value. Meanwhile, the couplings between the additional harmonic oscillators and the decay rate of additional harmonic oscillators have almost no effect on the multipartite entanglement generation. Finally, the entanglement generation of the additional harmonic oscillators is also discussed. Full article
(This article belongs to the Special Issue Correlations in Open Quantum Systems)
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16 pages, 812 KiB  
Article
Quantum Reactivity: An Indicator of Quantum Correlation
by Shahabeddin M. Aslmarand, Warner A. Miller, Verinder S. Rana and Paul M. Alsing
Entropy 2020, 22(1), 6; https://doi.org/10.3390/e22010006 - 19 Dec 2019
Cited by 3 | Viewed by 3399
Abstract
Geometry is often a valuable guide to complex problems in physics. In this paper, we introduce a novel geometric quantity called quantum reactivity (QR) to probe quantum correlations in higher-dimensional quantum systems. Much like quantum discord, QR is not a measure of quantum [...] Read more.
Geometry is often a valuable guide to complex problems in physics. In this paper, we introduce a novel geometric quantity called quantum reactivity (QR) to probe quantum correlations in higher-dimensional quantum systems. Much like quantum discord, QR is not a measure of quantum entanglement but can be useful in quantum information processes where a notion of quantum correlation in higher dimensions is needed. Both quantum discord and QR are extendable to an arbitrarily large number of qubits; however, unlike discord, QR satisfies the invariance under unitary operations. Our approach parallels Schumacher’s singlet state triangle inequality, which used an information geometry-based entropic distance. We use a generalization of information distance to area, volume, and higher-dimensional volumes and then use these to define a quantity that we call QR, which is the familiar ratio of surface area to volume. We examine a spectrum of multipartite states (Werner, W, GHZ, randomly generated density matrices, etc.) and demonstrate that QR can provide an ordering of these quantum states as to their degree of quantum correlation. Full article
(This article belongs to the Collection Quantum Information)
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18 pages, 2420 KiB  
Article
Quantum Correlation Based on Uhlmann Fidelity for Gaussian States
by Liang Liu, Jinchuan Hou and Xiaofei Qi
Entropy 2019, 21(1), 6; https://doi.org/10.3390/e21010006 - 22 Dec 2018
Cited by 3 | Viewed by 3521
Abstract
A quantum correlation N F G , A for ( n + m ) -mode continuous-variable systems is introduced in terms of local Gaussian unitary operations performed on Subsystem A based on Uhlmann fidelity F. This quantity is a remedy for the [...] Read more.
A quantum correlation N F G , A for ( n + m ) -mode continuous-variable systems is introduced in terms of local Gaussian unitary operations performed on Subsystem A based on Uhlmann fidelity F. This quantity is a remedy for the local ancilla problem associated with the geometric measurement-induced correlations; is local Gaussian unitary invariant; is non-increasing under any Gaussian quantum channel performed on Subsystem B;and is an entanglement monotone when restricted to pure Gaussian states in the ( 1 + m ) -mode case. A concrete formula for ( 1 + 1 ) -mode symmetric squeezed thermal states (SSTSs) is presented. We also compare N F G , A with other quantum correlations in scale, such as Gaussian quantum discord and Gaussian geometric discord, for two-mode SSTSs, which reveals that N F G , A has some advantage in detecting quantum correlations of Gaussian states. Full article
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14 pages, 4009 KiB  
Article
Effect of Bidispersity on Dynamics of Confined Polymer Films
by Sijia Li, Qiaoyue Chen, Mingming Ding and Tongfei Shi
Polymers 2018, 10(12), 1327; https://doi.org/10.3390/polym10121327 - 30 Nov 2018
Cited by 2 | Viewed by 2511
Abstract
Using Monte Carlo simulations, we studied the effect of bidispersity on the dynamics of polymer films capped between two neutral walls, where we chose three representative compositions for bidispersed polymer films. Our results demonstrate that the characteristic entanglement length is an important parameter [...] Read more.
Using Monte Carlo simulations, we studied the effect of bidispersity on the dynamics of polymer films capped between two neutral walls, where we chose three representative compositions for bidispersed polymer films. Our results demonstrate that the characteristic entanglement length is an important parameter to clarify the effect of the bidispersity on the dynamics of polymer films. For the short chains, shorter than the characteristic entanglement length, the average number of near-neighboring particles increases with the decrease of the film thickness and limits the diffusivity of the short chains, which is independent of the film compositions. However, the dynamics of the long chains, of which is above the characteristic entanglement length, is determined by the film’s composition. In our previous paper, we inferred from the structures and entanglements of the bidisperse system with short and long chains that the constraint release contributes significantly to the relaxation mechanism of long chains. By calculating the self-diffusion coefficient of long chains, we confirmed this prediction that, with a lower weight fraction of long chains, the self-diffusion coefficient of long chains decreases slowly with the decrease of the film thickness, which is similar to that of short chains. With a higher weight fraction of long chains, the competition between the disentanglement and the increased in the local degree of confinement which resulted in the self-diffusion coefficient of long chains varying non-monotonically with the film thickness. Furthermore, for the bidisperse system with long and long chains, the diffusivity of long chains was not affected by the constraint release, which varied nonmonotonically with the decrease of the film thickness due to the competition between the disentanglement and the enhanced confinement. Herein, compared with the previous work, we completely clarified the relationship between the structures and dynamics for three representative compositions of bidisperse polymer films, which contains all possible cases for bidisperse systems. Our work not only establishes a unified understanding of the dependency of dynamics on the bidispersity of polymer films, but also helps to understand the case of polydispersity, which can provide computational supports for various applications for polymer films. Full article
(This article belongs to the Special Issue Theory and Simulations of Entangled Polymers)
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7 pages, 243 KiB  
Article
Entanglement Entropy of the Spin-1 Condensates at Zero Temperature
by Zhibing Li, Yimin Liu, Wei Zheng and Chengguang Bao
Entropy 2018, 20(1), 80; https://doi.org/10.3390/e20010080 - 22 Jan 2018
Cited by 1 | Viewed by 4126
Abstract
For spin-1 condensates, the spatial degrees of freedom can be considered as being frozen at temperature zero, while the spin-degrees of freedom remain free. Under this condition, the entanglement entropy has been derived exactly with an analytical form. The entanglement entropy is found [...] Read more.
For spin-1 condensates, the spatial degrees of freedom can be considered as being frozen at temperature zero, while the spin-degrees of freedom remain free. Under this condition, the entanglement entropy has been derived exactly with an analytical form. The entanglement entropy is found to decrease monotonically with the increase of the magnetic polarization as expected. However, for the ground state in polar phase, an extremely steep fall of the entropy is found when the polarization emerges from zero. Then the fall becomes a gentle descent after the polarization exceeds a turning point. Full article
(This article belongs to the Special Issue Residual Entropy and Nonequilibrium States)
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18 pages, 5378 KiB  
Article
Carbon Nanotube Length Governs the Viscoelasticity and Permeability of Buckypaper
by Zhiqiang Shen, Magnus Röding, Martin Kröger and Ying Li
Polymers 2017, 9(4), 115; https://doi.org/10.3390/polym9040115 - 23 Mar 2017
Cited by 20 | Viewed by 8317
Abstract
The effects of carbon nanotube (CNT) length on the viscoelasticity and permeability of buckypaper, composed of (5,5) single-walled CNTs (SWCNTs), are systematically explored through large-scale coarse-grained molecular dynamics simulations. The SWCNT length is found to have a pronounced impact on the structure of [...] Read more.
The effects of carbon nanotube (CNT) length on the viscoelasticity and permeability of buckypaper, composed of (5,5) single-walled CNTs (SWCNTs), are systematically explored through large-scale coarse-grained molecular dynamics simulations. The SWCNT length is found to have a pronounced impact on the structure of buckypapers. When the SWCNTs are short, they are found to form short bundles and to be tightly packed, exhibit high density and small pores, while long SWCNTs are entangled together at a low density accompanied by large pores. These structure variations contribute to distinct performances in the viscoelasticity of buckypapers. The energy dissipation for buckypapers with long SWCNTs under cyclic shear loading is dominated by the attachment and detachment between SWCNTs through a zipping-unzipping mechanism. Thus, the viscoelastic characteristics of buckypapers, such as storage and loss moduli, demonstrate frequency- and temperature-independent behaviors. In contrast, the sliding-friction mechanism controls the energy dissipation between short SWCNTs when the buckypaper is under loading and unloading processes. Friction between short SWCNTs monotonically increases with rising length of SWCNTs and temperature. Therefore, the tan δ , defined as the ratio of the loss modulus over the storage modulus, of buckypaper with short SWCNTs also increases with the increment of temperature or SWCNT length, before the SWCNTs are entangled together. The permeability of buckypapers is further investigated by studying the diffusion of structureless particles within buckypapers, denoted by the obstruction factor ( β ). It is found to be linearly dependent on the volume fraction of SWCNTs, signifying a mass-dominated permeability, regardless of the structure variations induced by different SWCNT lengths. The present study provides a comprehensive picture of the structure-property relationship for buckypapers composed of SWCNTs. The methodology could be used for designing multifunctional buckypaper-based devices. Full article
(This article belongs to the Special Issue Semiflexible Polymers)
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