摘要：LASP(large-scale atomistic simulation with neural network potential)software developed by our group since 2018 is a powerful platform(***)for performing atomic simulation of complex *** software integrates the neural network(NN)potential technique with the global potential energy surface exploration method,and thus can be utilized widely for structure prediction and reaction mechanism *** we introduce our recent update on the LASP program version 3.0,focusing on the new functionalities including the advanced neuralnetwork training based on the multi-network framework,the newly-introduced S^(7) and S^(8) power type structure descriptor(PTSD).These new functionalities are designed to further improve the accuracy of potentials and accelerate the neural network training for multipleelement *** Cu-C-H-O neural network potential and a heterogeneous catalytic model as the example,we show that these new functionalities can accelerate the training of multi-element neural network potential by using the existing single-network potential as the *** obtained double-network potential Cu CHO is robust in simulation and the introduction of S^(7) and S^(8) PTSDs can reduce the root-mean-square errors of energy by a factor of two.

摘要：Researchers have been attempting to characterize heterogeneous catalysts in situ in addition to correlating their structures with their activity and selectivity in spite of many ***,we review recent experimental and theoretical advances regarding alkyne selective hydrogenation by Pd‐based catalysts,which are an important petrochemical *** catalytic selectivity for the reaction of alkynes to alkenes is influenced by the composition and structure of the *** progress achieved through experimental studies and atomic simulations has provided useful insights into the origins of the *** important role of the subsurface species(H and C)was revealed by monitoring the catalyst surface and the related catalytic *** atomic structures of the Pd catalytic centers and their relationship with selectivity were established through atomic *** combined knowledge gained from experimental and theoretical studies provides a fundamental understanding of catalytic mechanisms and reveals a path toward improved catalyst design.

摘要：针对混合软件定义网络(SDN)中的能源节约与流量优化问题,设计并实现了SDN交换机部署位置选择与链路行为优化方案。在保证数据包正确转发、链路最大利用率有限的前提下,基于改进遗传算法与贪心算法,通过优化SDN交换机的部署方案,定义其对流量的分离比例,关闭部分无效链路,调整链路最大负载,最终降低了链路的能源消耗。仿真实验结果验证了算法的正确性与高效性,并证明了该方案可以使网络能源得到充分利用,符合绿色网络的设计理念。

摘要：Transverse pressure gradient(TPG)is one of the key factors influencing the boundary layer airflow diversion in a bump *** paper proposes a novel TPG-based hypersonic bump inlet design *** method consists of two ***,a parametric optimization approach is employed to design a series of 2D inlets with various compression ***,according to the prescribed TPG,the optimized inlets are placed in different osculating planes to generate a 3D bump *** method provides a means to directly control the aerodynamic parameters of the bump rather than the geometric *** performing this method to a hypersonic chin inlet,a long and wide bump surface is formed in the compression wall,which leads to good integration of the bump/*** show that a part of the near-wall boundary layer flow is diverted by the bump,resulting in a slight decrease in the mass flow but a significant improvement in the total pressure *** addition,the starting ability is significantly improved by adding the bump *** reveals that the bump has a 3D rebuilding effect on the large-scale separation bubble of the unstarted ***,a mass flow correction is performed on the designed bump inlet to increase the mass flow to full airflow *** results show that the mass flow rate of the corrected bump inlet reaches up to 0.9993,demonstrating that the correction method is effective.

摘要：当前,我国已进入新时期发展阶段。全面建立空间规划体系,推进多规合一,实现主体功能区规划、土地利用总体规划、城乡规划、海洋功能区划等空间规划有机融合是党中央、国务院为加快推进生态文明建设、实现生态文明领域国家治理体系和治理能力现代化所作出的一项重大决策和部署。在国土空间规划体系重构背景下,为更好地理解并支撑新时代国土空间规划体系的建构,本文基于全国层面国土空间规划的认识与思考,从国土空间规划任务、规划重点及治理方式等方面进行初步探讨,以期为国内空间规划体系的建立提供理论基础及参考借鉴。

摘要：美国以维护公共健康为目的,立法调控烟酒等特殊商品的流通。其管控是全方位的,限制烟酒流通所涉对象,限制其广告和标识,限制其流通的时间、地点和方式,提高烟酒税收,披露和公示烟酒成分,加强执照管理,建立跟踪记录。目前中国在控制烟酒流通方面不容乐观,需要借鉴美国的相关立法和制度,保护人民的生命健康。

摘要：基于下颌式进气道将Bump/前体一体化设计方法应用于进气道设计,采用特征线法设计五种不同型面的前体,并采用数值仿真的方法,计算每种Bump/前体一体化进气道的自起动过程。研究表明:加入合适的Bump型面可极大提高进气道起动性能,将横向压力梯度集中在侧板附近的构型使进气道自起动马赫数降低了0.95。Bump/前体一体化对不起动状态下分离区形态进行三维重构,改变了分离区内横向溢流,从而改变了进气道起动能力。另外,通过对进气道起动过程的研究发现,进气道内形成封闭式分离区时,通常在高于设计马赫数时才能起动,进气道设计中应尽量避免这种状态的出现。

摘要：近年来,基于机器学习的大规模原子模拟技术的发展为许多化学分支的发展带来了巨大的希望。这些模拟具有高速度和高精度的特点。本文概述了基于机器学习势函数的原子模拟的3个关键方面的最新进展,即机器学习模型和结构描述子的开发,全局势能面训练集的生成,以及基于主动学习的势函数自动训练。研究表明,最近设计的指数型结构描述子和前馈神经网络模型非常适合生成高度复杂的全局势能面。通过神经网络势函数在材料和反应模拟中的2个最新应用来说明基于机器学习势函数的原子模拟如何有助于发现新材料和反应。

摘要：文章将已经出台医保谈判机制文本的镇江市和成都市做了细节比较,为向全国推广提供依据。研究结果提示,样本地区医保谈判试点具有重要意义,总体目标、基本原则、谈判内容各有特色,但仅靠各地散发的制度演进难以满足社会对有效制度需求的不足。

摘要：对现行规范有关粘贴纤维复合材料加固钢筋混凝土受弯构件设计的部分计算原理进行了理论分析,并通过实际加固设计数据,计算纤维拉应力在主要设计参数变化时的影响。结果表明:计算截面受压边缘混凝土的压应变取极限压应变时,不能反映构件加固前后两阶段受力的影响,纤维拉应变的计算没有意义,计算的承载能力不安全,混凝土的压应变建议取相应抗压强度设计值的应变;加固前计算截面的恒载内力应该取实际值而非组合设计值,加固后截面的受压区高度较小值也应作严格限制。