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First-principles molecular dynamics simulations of heat transport in systems with large-scale structural features are challenging due to their high computational cost. Here, using polycrystalline graphene as a case study, we demonstrate the feasibility of simulating heat transport with near first-principles accuracy in systems containing over 1.4 million atoms, achievable even with consumer desktop GPUs. This is enabled by the highly efficient neuroevolution potential (NEP) approach, as implemented in the open-source GPUMD package. Leveraging the NEP model's accuracy and efficiency, we quantify the reduction in thermal conductivity of polycrystalline graphene due to grain boundaries with varying grain sizes, resolving contributions from in-plane and out-of-plane (flexural) phonon modes. Additionally, we find that grain boundaries can lead to finite thermal conductivity even under significant tensile strain, in contrast to the divergent behavior observed in pristine graphene under similar conditions, indicating that grain boundaries may play a crucial role in thermal transport in low-dimensional momentum-conserving systems. These findings could offer insights for interpreting experimental observations, given the widespread presence of both large-scale grain boundaries and external strains in real materials. The demonstrated ability to simulate millions of atoms with near-first-principles accuracy on consumer desktop GPUs using the NEP approach will help make large-scale high-fidelity atomistic simulations more accessible to the broader research community., Comment: 8 pages, 6 figures, a labeling typo in the previous Fig. 6 has been corrected

Ultra-densely deploying access points (APs) to support the increasing data traffic would significantly escalate the cell-edge problem resulting from traditional cellular networks. By removing the cell boundaries and coordinating all APs for joint transmission, the cell-edge problem can be alleviated, which in turn leads to unaffordable system complexity and channel measurement overhead. A new scalable clustered cell-free network architecture has been proposed recently, under which the large-scale network is flexibly partitioned into a set of independent subnetworks operating parallelly. In this paper, we study the energy-efficient clustered cell-free networking problem with AP selection. Specifically, we propose a user-centric ratio-fixed AP-selection based clustering (UCR-ApSel) algorithm to form subnetworks dynamically. Following this, we analyze the average energy efficiency achieved with the proposed UCR-ApSel scheme theoretically and derive an effective closed-form upper-bound. Based on the analytical upper-bound expression, the optimal AP-selection ratio that maximizes the average energy efficiency is further derived as a simple explicit function of the total number of APs and the number of subnetworks. Simulation results demonstrate the effectiveness of the derived optimal AP-selection ratio and show that the proposed UCR-ApSel algorithm with the optimal AP-selection ratio achieves around 40% higher energy efficiency than the baselines. The analysis provides important insights to the design and optimization of future ultra-dense wireless communication systems.

By moving to millimeter wave (mmWave) frequencies, base stations (BSs) will be densely deployed to provide seamless coverage in sixth generation (6G) mobile communication systems, which, unfortunately, leads to severe cell-edge problem. In addition, with massive multiple-input-multiple-output (MIMO) antenna arrays employed at BSs, the beamspace channel is sparse for each user, and thus there is no need to serve all the users in a cell by all the beams therein jointly. Therefore, it is of paramount importance to develop a flexible clustered cell-free networking scheme that can decompose the whole network into a number of weakly interfered small subnetworks operating independently and in parallel. Given a per-user rate constraint for service quality guarantee, this paper aims to maximize the number of decomposed subnetworks so as to reduce the signaling overhead and system complexity as much as possible. By formulating it as a bipartite graph partitioning problem, a rate-constrained network decomposition (RC-NetDecomp) algorithm is proposed, which can smoothly tune the network structure from the current cellular network with simple beam allocation to a fully cooperative network by increasing the required per-user rate. Simulation results demonstrate that the proposed RC-NetDecomp algorithm outperforms existing baselines in terms of average per-user rate, fairness among users and energy efficiency., Comment: This work has been submitted to the IEEE for possible publication

Conventionally, the resource allocation is formulated as an optimization problem and solved online with instantaneous scenario information. Since most resource allocation problems are not convex, the optimal solutions are very difficult to be obtained in real time. Lagrangian relaxation or greedy methods are then often employed, which results in performance loss. Therefore, the conventional methods of resource allocation are facing great challenges to meet the ever-increasing QoS requirements of users with scarce radio resource. Assisted by cloud computing, a huge amount of historical data on scenarios can be collected for extracting similarities among scenarios using machine learning. Moreover, optimal or near-optimal solutions of historical scenarios can be searched offline and stored in advance. When the measured data of current scenario arrives, the current scenario is compared with historical scenarios to find the most similar one. Then, the optimal or near-optimal solution in the most similar historical scenario is adopted to allocate the radio resources for the current scenario. To facilitate the application of new design philosophy, a machine learning framework is proposed for resource allocation assisted by cloud computing. An example of beam allocation in multi-user massive multiple-input-multiple-output (MIMO) systems shows that the proposed machine-learning based resource allocation outperforms conventional methods., Comment: 19 pages with 6 figures, accepted by IEEE Network Magazine

Despite substantial rate gains achieved by coordinated transmission from a massive amount of geographically distributed antennas, the resulting computational cost and channel measurement overhead could be unaffordable for a large-scale distributed antenna system (DAS). A scalable signal processing framework is therefore highly desirable, which, as recently demonstrated in \cite{Dai_TWireless}, could be established based on the concept of virtual cell. In a virtual-cell based DAS, each user chooses a few closest base-station (BS) antennas to form its virtual cell, that is, its own serving BS antenna set. In this paper, we focus on a downlink DAS with a large number of users and BS antennas uniformly distributed in a certain area, and aim to study the effect of the virtual cell size on the average user rate. Specifically, by assuming that maximum ratio transmission (MRT) is adopted in each user's virtual cell, the achievable ergodic rate of each user is derived as an explicit function of the large-scale fading coefficients from all the users to their virtual cells, and an upper-bound of the average user rate is established, based on which a rule of thumb is developed for determining the optimal virtual cell size to maximize the average user rate. The analysis is further extended to consider multiple users grouped together and jointly served by their virtual cells using zero-forcing beamforming (ZFBF). In contrast to the no-grouping case where a small virtual cell size is preferred, it is shown that by grouping users with overlapped virtual cells, the average user rate can be significantly improved by increasing the virtual cell size, though at the cost of a higher signal processing complexity.

A great deal of efforts have been made on the performance evaluation of distributed antenna systems (DASs). Most of them assume a regular base-station (BS) antenna layout where the number of BS antennas is usually small. With the growing interest in cellular systems with large antenna arrays at BSs, it becomes increasingly important for us to study how the BS antenna layout affects the rate performance when a massive number of BS antennas are employed. This paper presents a comparative study of the asymptotic rate performance of downlink multi-user systems with multiple BS antennas either co-located or uniformly distributed within a circular cell. Two representative linear precoding schemes, maximum ratio transmission (MRT) and zero-forcing beamforming (ZFBF), are considered, with which the effect of BS antenna layout on the rate performance is characterized. The analysis shows that as the number of BS antennas $L$ and the number of users $K$ grow infinitely while $L/K{\rightarrow}\upsilon$, the asymptotic average user rates with the co-located antenna (CA) layout for both MRT and ZFBF are logarithmic functions of the ratio $\upsilon$. With the distributed antenna (DA) layout, in contrast, the scaling behavior of the average user rate closely depends on the precoding schemes. With ZFBF, for instance, the average user rate grows unboundedly as $L, K{\rightarrow} \infty$ and $L/K{\rightarrow}\upsilon{>}1$, which indicates that substantial rate gains over the CA layout can be achieved when the number of BS antennas $L$ is large. The gain, nevertheless, becomes marginal when MRT is adopted.