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面向铁电相变的机器学习:基于图卷积神经网络的分子动力学模拟
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作者 欧阳鑫健 张岩星 +6 位作者 王之龙 张锋 陈韦嘉 庄园 揭晓 刘来君 王大威 《物理学报》 SCIE EI CAS CSCD 北大核心 2024年第8期273-286,共14页
铁电材料广泛应用于功能器件中,对铁电体进行方便、准确的理论建模,是一个长期被关注的问题.本文提出了一种基于图卷积神经网络的铁电相变模拟方法,利用图卷积神经网络对铁电材料的势能面进行原子层面的建模,并将得到的神经网络势函数... 铁电材料广泛应用于功能器件中,对铁电体进行方便、准确的理论建模,是一个长期被关注的问题.本文提出了一种基于图卷积神经网络的铁电相变模拟方法,利用图卷积神经网络对铁电材料的势能面进行原子层面的建模,并将得到的神经网络势函数作为计算器,以驱动大体系的分子动力学模拟.给定原子位置,训练好的图卷积神经网络能够给出势能的高精度预测,达到每原子1 meV级别,与从头算(ab inito)精度基本相当,同时在计算速度上相比从头算方法有数个数量级的提升.得益于神经网络的高精度和快速预测能力,结合分子动力学模拟,本文对两种不同类型的铁电材料——GeTe和CsSnI3进行研究,成功模拟了它们随温度发生的结构相变,模拟结果和实验相符合.这些结果说明了图卷积神经网络在铁电体建模和相变模拟应用中的准确性和可靠性,为铁电体的理论探索提供了一个通用建模方法. 展开更多
关键词 铁电相变 机器学习 势函数
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An Auto-configuration 4M Group Management using Wireless Sensor Networks for Reconfigurable Manufacturing System
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作者 Suk-Keun Cha Jeong-Hoon Lee +4 位作者 Joon Jae Yoo Jung Hoon Kang Han Gyu Kim Dong Hoon Kim Jun Yeob Song 《Journal of Measurement Science and Instrumentation》 CAS 2010年第S1期192-198,共7页
The first tier of automotive manufacturers has faced to pressures about move,modify,updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor compan... The first tier of automotive manufacturers has faced to pressures about move,modify,updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor company and process innovation purpose for productivity. For meets this requirements,it has to require absolutely lead time to re-wiring of physical interface for production equipment,needs for change existing program and test over again.For prepare this constraints,it needs studying an auto-configuration functions that build for both visibility and flexibility based on the 4M(Man,Machine,Material, Method)group management which is supports from WSN (Wireless Sensor Network)of the open embedded device called M2M(Machine to Machine)and major functions of middleware including point manager for real-time device communication,real-time data management,Standard API (Application Program Interface)and application template management.To be application system to RMS (Reconfigurable Manufacturing System)for rapidly response from various orders and model from motor company that is beginning to establishing the mapping of manufacturing resources of 4M using WSN. 展开更多
关键词 Auto-configuration Wireless Sensor Network RECONFIGURABLE Production resoureces of 4M TINYOS machien to Machine MIDDLEWARE Application Template Manager
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An Auto-Configuration of 4M Group Management Using Wireless Sensor Networks
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作者 Suk-Keun Cha Jeong-Hoon Lee +4 位作者 Han Gyu Kim Joon Jae Yoo Jung Hoon Kang Dong Hoon Kim Jun Yeob Song 《Wireless Sensor Network》 2010年第5期402-410,共9页
The first tier of automotive manufacturers has faced to pressures about move, modify, updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor comp... The first tier of automotive manufacturers has faced to pressures about move, modify, updating tasks for manufacturing resources in production processes from demand response of production order sequence for motor company and process innovation purpose for productivity. For meets this requirements, it has to require absolutely lead time to re-wiring of physical interface for production equipment, needs for change existing program and test over again. For prepare this constraints, it needs studying an auto-configuration functions that build for both visibility and flexibility based on the 4M (Man, Machine, Material, Method) group management which is supports from WSN (Wireless Sensor Network) of the open embedded device called M2M (Machine to Machine) and major functions of middleware including point manager for real-time device communication, real-time data management, Standard API (Application Program Interface) and application template management. To be application system to RMS (Reconfigurable Manufacturing System) for rapidly response from various orders and model from motor company that is beginning to establishing the mapping of manufacturing resources of 4M using WSN. 展开更多
关键词 Auto-Configuration Wireless Sensor Network RECONFIGURABLE Production Resoureces of 4M TINYOS machien to MACHINE MIDDLEWARE Application TEMPLATE MANAGER
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