Rate analysis of ZF receiver for uplink cell-free massive MIMO systems with D2D communications

This paper proposes a transmission structure of zero forcing (ZF) receiver for uplink cell-free massive multiple-input multiple-output (MIMO) systems with device-to-device (D2D) communications, followed by a rate analysis. We assumed that D2D users (DUEs) can utilize orthogonal radio resources to improve the efficiency of the scarce utilization or repurpose the time–frequency-spectrum resources currently used by the cell-free users (CFUEs). Assuming that the imperfect channel state information (CSI) is realizable, after that, the use-and-forget bounding technique is then used to respectively obtain the closed-form expressions of the CFUEs and DUEs, which provide the lower bounds on the ergodic approximate realizable rate of both communication links. First, we calculate the minimum-mean-square error (MMSE) estimation for all channels. Then, the derived results of the achievable uplink sum rate provide us with a tool that enables us to explain how some important parameters, such as the number of access points (APs)/CFUEs, each AP/CFUE/antenna, and the density of DUEs, affect system performance, highlighting the significance of cooperation between cell-free massive MIMO and D2D communication.     

Anharmonic Effect of the Unimolecular Isomerization/Decomposition of Benzyne

The anharmonic and harmonic rate constants were calculated for the unimolecular decomposition of o‐benzyne, the isomerization of o‐benzyne to m‐benzyne, the isomerization of m‐benzyne to p‐benzyne and unimolecular decomposition of p‐benzyne by using the Rice–Ramsperger–Kassel–Marcus (RRKM) theory respectively, in the canonical and microcanonical systems. The geometry and the vibrational frequencies were calculated by MP2 and B3LYP methods with 6‐311G(d,p) basis set and the barrier energies were corrected using CBS‐QB3 theory. The anharmonic effect on the reactions was also examined. Comparison of results for the decompositions of benzyne indicate that both in microcanonical and canonical cases, the anharmonic effect on the decomposition of the o‐C₆H₄ and p‐C₆H₄ are significant, while the anharmonic effect on the two isomerizations are not pronounced.     

甲基肼自由基在高温燃烧分解反应下的非谐振效应

In this work, the harmonic and anharmonic rate constants of the decomposition reaction of monomethylhydrazine (MMH) radicals have been calculated by using transition state (TS) and Rice-Ramsperger-Kassel-Marcus (RRKM) theories with either MP2 or B3LYP method at 6-311++G (3df, 2p) basis set, respectively. The reaction mechanism and anharmonic effect of the MMH radicals are studied in detail and both of the harmonic and anharmonic rate constants increase sharply with increasing temperature in the canonical system. In the microcanonical system, these constants also show sharp increase with the energies. Overall, the anharmonic effect becomes more pronounced with the increasing temperature or energy in the canonical and microcanonical systems, respectively. These results indicate that the anharmonic effect of the decomposition reaction of MMH radicals is quite significant and cannot be ignored.     

Nonequilibrium vibration-dissociation phenomena behind a propagating shock wave: Vibrational population calculation

An analysis of nonequilibrium phenomena behind a plane shock is presented concerning the vibrational relaxation and the dissociation of a pure diatomic gas. In the first part, the temperature range is 600 K–2500 K and the dissociation processes are neglected. The population of each vibrational level is computed by solving relaxation and conservation equations. The relaxation process is described by the master equations of each vibrational level. The vibrational transition probabilities appearing in the relaxation equations are calculated analytically and take into account the anharmonicity of molecular vibration and the potential angular dependence. The populations obtained are compared to those calculated using a Treanor model and to those calculated with a nonequilibrium Boltzmann distribution. For moderately high levels significant differences may be observed. The importance of the V-V process is found to be weak for the transitions involving the lowest levels. In the second part, the temperature range is 2500 K–5500K and the dissociation process is taken into account as well as the gas dynamic behavior which did not appear in several recent works. The kinetic equations are transformed to obtain a first order differential system and the resolution of such a system coupled with the conservation equations leads to the population of each vibrational level. The vibrational transition probabilities associated with the atom-molecule interaction are deduced from the cross section calculation used in the first part. The bound-free transition probabilities are obtained, following Marrone and Treanor, assuming that dissociation must occur preferentially from the higher vibrational states: the Marrone and Treanor probability model is extended and employed with an anharmonic oscillator. In the present investigation, behind the shock wave, the evolution of the population distribution expressed as a function of the distance is not monotonous: a lag time appears as shown experimentally in previous works for the macroscopic parameters. For moderately high levels the influence of the anharmonicity and those of the V-V processes appear significant and strongly related. In a general way, in both temperature ranges investigated, the V-V processes reduce the effects of the T-V transfer. Finally the influence of thecharacteristic probability temperature U of Marrone and Treanor is analyzed and a method of determination of local varying U is proposed.     

Decay estimates of functions through singular extensions of vector-valued Laplace transforms

Let X be a Banach space and let f∈L^∞(R⁺;X) whose Laplace transform extends analytically to some region containing iR?{0}, possibly having a pole at the origin. In this paper, we give estimates of the decay of certain slight suitable modification of f in terms of the growth of its Laplace transform along the imaginary axis. This technique is applied to obtain decay estimates of smooth orbits of bounded C₀-semigroups whose infinitesimal generators have an arbitrary finite boundary spectrum. These results are close to those given recently by C.J.K. Batty and T. Duyckaerts.     

Construction of generators of quasi-interpolation operators of high approximation orders in spaces of polyharmonic splines

The paper presents a simple procedure for the construction of quasi-interpolation operators in spaces of m-harmonic splines in R^d, which reproduce polynomials of high degree. The procedure starts from a generator ?₀, which is easy to derive but with corresponding quasi-interpolation operator reproducing only linear polynomials, and recursively defines generators ?₁,?₂,…,?_m−1 with corresponding quasi-interpolation operators reproducing polynomials of degree up to 3,5,…,2m−1 respectively. The construction of ?_j from ?_j−1 is explicit, simple and independent of m. The special case d=1 and the special cases d=2,m=2,3,4 are discussed in details.     

Direct dynamics studies for the reactions of CF3CHFCF3 and CF3CF2CHF2 with H atoms

The rate constants of the hydrogen abstraction reactions of CF₃CHFCF₃ + H (R1) and CF₃CF₂CHF₂ + H (R2) have been calculated by means of the dual-level direct dynamics method. Optimized geometries and frequencies of stationary points and extra points along the minimum-energy path (MEP) are obtained at the MPW1K/6-311+G(d,p) level, and the classical energetic information is further corrected with the interpolated single-point energy (ISPE) approach by the G3(MP2) level of theory. Using the canonical variational transition state theory (CVT) with small-curvature tunneling corrections (SCT), the rate constants are evaluated over a wide temperature range of 200-2000 K. The calculated CVT/SCT rate constants are in good agreement with available experimental values. It is found that the variational effect is very small and almost negligible over the whole temperature region. However, the small-curvature tunneling correction plays an important role in the lower temperature range. Furthermore, the heats of formation of species CF₃CF₂CHF₂ (SC₁ or SC₂) and CF₃CF₂CF₂ are studied using isodesmic reactions to further elucidate the thermodynamic properties.     

A stochastic approach to capture crystal plasticity

A stochastic crystal plasticity model is proposed and applied within the rate-independent regime. As opposed to conventional deterministic algorithms wherein multiple slip systems are activated and redundant constraints may exist, the new Monte Carlo plasticity (MCP) paradigm is based on a stochastic chain of singly activated slip systems and thus avoids the possible ill-condition associated with multi-slip algorithms. The choice of the activated slip system is made at each Monte Carlo (MC) step based on the Metropolis algorithm. The MCP model is implemented within a Material Point Method (MPM) as a constitutive model to capture the elasto-plastic behavior of polycrystalline materials. A comparison with a commonly used singular value decomposition (SVD) algorithm indicates that MCP offers superior computational efficiency while maintaining comparable accuracy.     

On explicit order 1.5 approximations with varying coefficients: The case of super-linear diffusion coefficients

A conjecture appears in Kumar and Sabanis (2016), in the form of a remark, where it is stated that it is possible to construct, in a specified way, any high order explicit numerical schemes to approximate the solutions of SDEs with superlinear coefficients. We answer this conjecture to the positive for the case of order 1.5 approximations and show that the suggested methodology works. Moreover, we explore the case of having Hölder continuous derivatives for the diffusion coefficients.     

Fractional Hardy–Hénon equations on exterior domains

In this paper, we consider the fractional Hardy–Hénon equations with an isolated singularity. If the isolated singularity is located at the origin, we give a classification of solutions to this equation. If the isolated singularity is located at infinity, in the case of exterior domains, we provide decay estimates of solutions and their gradients at infinity. Our results are an extension of the classical work by Caffarelli, Gidas et al.