无脂链磺化酞菁铜多层膜体系：电子非弹性平均自由程的研究

磺化酞菁铜多层膜体系是利用Langmuir-Blodgett技术制备的有序有机分子膜,它对于XPS测试有很好的稳定性,本文在固定电子出射角的条件下利用XPS方法研究了不同厚度的膜样品中Cu_((2(?))_(3/2))、Ni_(1(?))、S_(2p)峰强度的变化规律,讨论了膜内分子有序排列引起的散射效应对电子平均自由程的影响。     

Molecular vibrations in a gradient extremal path

Summary The calculation of vibrational states using a gradient extremal path is discussed. Gradient extremal paths are defined by local criteria, which lead to stable solutions. This has certain advantages in comparison with a steepest-descent path, which is often difficult to determine accurately. For cases where a reaction path formalism is applicable, a path based on the gradient extremal concept gives results in close agreement with those obtained using traditional steepest-descent methods. We present algorithms for carrying out such calculations and also give some numerical results.     

Variational transition state theory without the minimum-energy path

In this paper we propose a method for carrying out variational transition state theory calculations without first obtaining a converged minimum-energy path (MEP). We illustrate the method in two ways, first of all by employing an unconverged MEP and secondly by using a dynamically optimized distinguished reaction path. Preliminary tests of the algorithm for the reactions OH+H₂→H₂O+H and C₂H₅→C₂H₄+H are very encouraging. Received: 22 January 1997 / Accepted: 11 March 1997     

Fast Marching Method for Calculating Reactive Trajectories for Chemical Reactions

We present a method for computing classical Newtonian trajectories that minimize the path length or transit time from reactant to product. Our approach is based on a generalization of the fast-marching method, which allows us to construct the solution of the Hamilton-Jacobi equation for the action that optimizes the desired quantity. The resulting “reactive paths” can be interpreted as reaction coordinates but, unlike more conventional choices, they contain dynamical information about the chemical system of interest.     

Learning attention-based strategies to cooperate for multi-agent path finding

Multi-agent path finding (MAPF) is a challenging multi-agent systems problem where all agents are required to effectively reach their goals concurrently with not colliding with each other and avoiding obstacles. In MAPF, it is a challenge to effectively express the observation of agents, utilize historical information, and effectively communicate with neighbor agents. To tackle these issues, in this work, we proposed a well-designed model that utilizes the local states of nearby agents and outputs an optimal action for each agent to execute. We build the local observation encoder by using residual attention CNN to extract local observations and use the Transformer architecture to build an interaction layer to combine local observations of agents. With the purpose of overcoming the deficiency of success rate, we also designed a new evaluation index, namely extra time rate (ETR). The experimental results show that our model is superior to most previous models in terms of success rate and ETR. In addition, we also completed the ablation study on the model, and the effectiveness of each component of the model was proved.     

泵闸混凝土施工期智能温控关键信息识别

为实现施工期大体积混凝土温控要素的智能快速识别,提高智能温控系统的反馈及预测模型精度,提出了一套智能算法对物联网技术采集到的各类温控要素原始测值进行识别及转化。针对浇筑温度、浇筑时间、最高温度、内外温差、冷却通水起止时间与表面保温覆盖等施工期关键温控参数,结合工程经验分别给出相应识别任务的判定逻辑并编写对应程序,然后应用多个实际工程数据进行验证,并分析各识别功能的准确率。验证结果表明,本文算法识别效果良好,能够实现温控要素采集的自动化、智能化、快速化、精准化,具有较强的工程实用价值。     

基于STIRPAT模型的京津冀“碳达峰”预测研究

为了解决京津冀地区碳排放量达峰问题,以河北省为例,研究京津冀碳排放达峰实现路径,对京津冀未来的碳排放量进行预测分析,建立以河北省2004—2021年碳排放相关数据为基础的STIRPAT碳排放预测拓展模型。设置了6个情景,通过综合考虑人口规模、人均GDP、城镇化率、产业结构、能源强度、能源结构数据的变化速度,模拟不同情景下京津冀2022—2040年的碳排放趋势,进而预测京津冀三地的“碳达峰”时间与碳排放峰值。结果表明：北京除清洁发展情景是在2030年达峰,其余情景均在2035年达到峰值;天津除经济放缓情景是在2030年达峰,其余情景均在2035年实现“碳达峰”;河北除基准情景在2035年达峰外,其余情景均是在2030年达到峰值。所提的碳排放预测拓展模型在考虑多情景分析下,就京津冀地区如何控制和减少碳排放量提出相关建议,可为京津冀低碳经济的发展提供一定的参考依据。     

不同热管工质对热管冷却反应堆堆芯物理参数的影响与分析

热管冷却反应堆采用非能动传热技术,热响应速度快,可避免堆芯单点失效,具有功率密度大、寿命长、环境适应性强、工作性能稳定等特点,是目前空间核反应堆研究的热点。本文基于清华大学开发的反应堆蒙特卡洛中子输运程序RMC (Reactor Monte Carlo code),以美国爱荷华国家实验室(Idaho National Laboratory, INL)设计的热管冷却反应堆INL Design A为研究对象,选取3种热管工质开展热管冷却反应堆堆芯物理计算。计算结果表明：锂热管工质不仅拥有很好的热物性参数,并且使用锂热管工质的热管冷却反应堆缓发中子有效份额最大、中子能谱较硬、燃耗反应性损失最小、增殖性能最佳,有利于热管冷却反应堆堆芯小型化与长寿命。因此,推荐锂为热管冷却反应堆的热管工质。     

“新文科”建设背景下经济学人才培养的路径研究

“新文科”建设是新时代对人文社会科学教育提出的新要求。如何在“新文科”理念下培养经济学人才,是中国经济学建设的一个重要课题。首先,从时代性、战略性、创新性、交融性和发展性5个特征维度阐释“新文科”建设的内涵;其次,探讨“新文科”建设背景下经济学人才培养存在的主要问题;最后,提出经济学人才培养需要持续优化经济学专业培养目标和培养方案;加强经济学的课程思政教育,推动济学与其他学科的交叉融合,推动经济学人才培养模式创新以及培养学生解决问题的能力等路径。研究结果可为培养适应新时代发展的经济学人才提供理论参考。     

PRM蚁群融合算法的AGV路径规划研究

针对AGV运货时需一次性取多件货物的路径规划问题,提出一种PRM算法与蚁群算法相结合的融合算法,将问题拆分为路径的选择与TSP问题分布解决,即先利用PRM算法进行AGV路径规划,再利用蚁群算法决策出取货顺序,生成总的路径。最后采用matlab进行仿真实验,并与A*算法进行对比,结果证明了PRM蚁群融合算法比A*算法得出的路径更短、效率更高。