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Finite element numerical simulation of 2.5D direct current method based on mesh refinement and recoarsement 被引量:4
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作者 张钱江 戴世坤 +3 位作者 陈龙伟 强建科 李昆 赵东东 《Applied Geophysics》 SCIE CSCD 2016年第2期257-266,416,417,共12页
To deal with the problem of low computational precision at the nodes near the source and satisfy the requirements for computational efficiency in inversion imaging and finite-element numerical simulations of the direc... To deal with the problem of low computational precision at the nodes near the source and satisfy the requirements for computational efficiency in inversion imaging and finite-element numerical simulations of the direct current method, we propose a new mesh refinement and recoarsement method for a two-dimensional point source. We introduce the mesh refinement and mesh recoarsement into the traditional structured mesh subdivision. By refining the horizontal grids, the singularity owing to the point source is minimized and the topography is simulated. By recoarsening the horizontal grids, the number of grid cells is reduced significantly and computational efficiency is improved. Model tests show that the proposed method solves the singularity problem and reduces the number of grid cells by 80% compared to the uniform grid refinement. 展开更多
关键词 Direct current resistivity method mesh refinement and recoarsement finiteelement method
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New Refinement Relations of Z Specifications for Multiple Viewpoints Oriented Requirements Method
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作者 He Yan xiang, Song Qiang, Huang Qian School of Computer, State Key Laboratory of Software Engineering Wuhan University, Wuhan 430072, China 《Wuhan University Journal of Natural Sciences》 CAS 2001年第Z1期304-312,共9页
In this paper we develop several new refinement relations of Z for multiple viewpoints oriented requirements method (MVORM). The original motivation is that we found the standard Z refinement relation is not adequate ... In this paper we develop several new refinement relations of Z for multiple viewpoints oriented requirements method (MVORM). The original motivation is that we found the standard Z refinement relation is not adequate or correct when considering specifications that have temporal relationships of operations. The concept of temporal state variables is introduced into Z. Then new implementation relations are defined and new refinement relations are deduced, mainly for temporal state variables to process temporal relationships of operations. We use state transition systems to abstract the temporal state transitions. A simple example is used to show the procedures of MVORM. Finally some directions of further work are forwarded. 展开更多
关键词 temporal state variable formal description language state transition system implementation relation refinement relation multiple viewpoints oriented requirements method
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基于中断时间序列分析的医用耗材精细化管理与成效追踪研究
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作者 王俊寰 周朋超 +2 位作者 贾志国 范琳琳 郑冉冉 《中国卫生质量管理》 2026年第2期38-42,共5页
目的 通过对医用耗材临床使用进行实时监管和成效评估,促进医用耗材的精细化管理。方法 建立医用耗材数据分析平台,从耗材品规、科室用耗、病种和术式用耗等维度实时监管科室用耗情况。以A科室A1术式异常数据分析为例,采用中断时间序列... 目的 通过对医用耗材临床使用进行实时监管和成效评估,促进医用耗材的精细化管理。方法 建立医用耗材数据分析平台,从耗材品规、科室用耗、病种和术式用耗等维度实时监管科室用耗情况。以A科室A1术式异常数据分析为例,采用中断时间序列法分析干预前后相关费用变化情况。结果 干预后A1术式患者次均住院总费用为61 936.15元,相比干预前下降14 148.75元(P<0.05),其中干预后次均耗材费用为42 892.37元,相比干预前下降12 856.38元(P<0.05)。干预后A1术式以及A科室所有手术患者的次均住院总费用和次均耗材类费用指标均由上升趋势转为下降趋势(β1+β3<0,P<0.05)。结论 应用医用耗材数据分析平台能够有效改善临床用耗行为,实现降费控耗的目标,从而提升医院精细化管理水平。 展开更多
关键词 医院管理 医用耗材 精细化管理 中断时间序列法
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Preparation of V-Ti-Fe master alloys by metallothermic reduction method 被引量:5
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作者 王斌 刘奎仁 +2 位作者 陈建设 高腾跃 何季麟 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2012年第6期1507-1512,共6页
V-Ti-Fe master alloys were prepared by metaUothermic reduction method, and the influences of the mass ratio of V205 to TiO2, Al and Al-Mg alloy addition amounts on the metal recovery rates and alloy compositions were ... V-Ti-Fe master alloys were prepared by metaUothermic reduction method, and the influences of the mass ratio of V205 to TiO2, Al and Al-Mg alloy addition amounts on the metal recovery rates and alloy compositions were investigated. The results show that appropriate technological parameters are: the mass ratio of V205 to TiO2 is 0.5:1, Al addition represents 95% of the theoretical value, and the Al-Mg alloy addition amount is one third that of the Al addition. The results from energy spectrum analysis show that V and Fe distribute uniformly in the prepared alloy, while the segregation for Ti, i.e. Ti-rich phase is detected. A spray refming process was carried out to reduce the impurity contents of Al and O in the prepared alloys. The Al content drops from 4.27% to 1.86%, and the O content drops from 2.10% to 0.91% after the refining process. 展开更多
关键词 V-Ti-Fe master alloys metallothermic reduction method recovery rates refining process
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SAMR网格上扩散方程有限体格式的逼近性与两层网格算法 被引量:4
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作者 舒适 岳孝强 +1 位作者 周志阳 徐小文 《计算物理》 CSCD 北大核心 2014年第4期390-402,共13页
针对结构自适应加密网格(SAMR)上扩散方程的求解,分析几种有限体格式的逼近性,同时设计和分析一种两层网格算法.首先,讨论一种常见的守恒型有限体格式,并给出网格加密区域和细化/粗化插值算子的条件;接着,通过在粗细界面附近引入辅助三... 针对结构自适应加密网格(SAMR)上扩散方程的求解,分析几种有限体格式的逼近性,同时设计和分析一种两层网格算法.首先,讨论一种常见的守恒型有限体格式,并给出网格加密区域和细化/粗化插值算子的条件;接着,通过在粗细界面附近引入辅助三角形单元,消除粗细界面处的非协调单元,设计了一种保对称有限体元(SFVE)格式,分析表明,该格式具有更好的逼近性,且对网格加密区域和插值算子的限制更弱;最后,为SFVE格式构造一种两层网格(TL)算法,理论分析和数值实验表明该算法的一致收敛性. 展开更多
关键词 自适应网格加密(amr) 扩散方程 有限体格式 逼近性 两层网格算法
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界面捕捉Level Set方法的(AMR)数值模拟 被引量:12
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作者 宫翔飞 张树道 江松 《计算物理》 EI CSCD 北大核心 2006年第4期391-395,共5页
在流体力学方程的计算中采用高精度WENO格式,用AMR(adaptive mesh refinement)方法提高流场局部分辨率,在采用Level Set函数标定物质界面的计算中用GFM(ghost fluid method)方法进行界面处理,尝试将AMR技术与界面追踪技术相互融合并应... 在流体力学方程的计算中采用高精度WENO格式,用AMR(adaptive mesh refinement)方法提高流场局部分辨率,在采用Level Set函数标定物质界面的计算中用GFM(ghost fluid method)方法进行界面处理,尝试将AMR技术与界面追踪技术相互融合并应用于数值模拟,对不同的模拟结果进行了比较. 展开更多
关键词 WENO adaptive mesh refinement Level SET方法 GHOST fluid方法
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Designing Optimal Temperature for Multi-directional Forging Process:A Phase-Field Crystal Study
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作者 Song Zhuo Li Huanqing +3 位作者 Tian Xiaolin Kang Xiaolan Hou Hua Zhao Yuhong 《稀有金属材料与工程》 北大核心 2026年第5期1146-1156,共11页
Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislo... Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislocations at different temperatures were investigated.Results show that a mapping relationship between process parameters and grain refinement/coarsening is established,and the optimal processing temperature coefficient is 0.23.Compared with the cases with processing temperature coefficient of 0.19,0.20,0.21,0.25,and 0.27,the refinement effect increases by 256.0%,146.0%,113.0%,6.7%,and 52.4%,respectively.Excessively high temperatures lead to grain coarsening due to dislocation annihilation,and the application of strain can reduce the actual melting point of materials.Even if the processing temperature does not exceed the theoretical melting point,remelting and crystallization may still occur,resulting in an overburning phenomenon that reduces internal defects and increases overall grain size.This research is of great significance for the actual forging process design. 展开更多
关键词 phase-field crystal method multi-directional forging temperature grain refinement DISLOCATION
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炼厂加工原油边际效益拐点追踪及根本原因分析方法研究
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作者 张萌 哈斯叶提·叶斯博拉提 +2 位作者 刘斌 董丰莲 张大庆 《化工管理》 2026年第9期120-126,共7页
炼厂加工原油的边际效益通常随着加工量的变化而动态变化。为了提升炼化企业经济效益,应用专业软件建立企业的非线性生产计划优化模型,应用模型开展原油加工效益测算分析是国内外石化企业的普遍做法。本文提出了一种炼厂原油加工效益拐... 炼厂加工原油的边际效益通常随着加工量的变化而动态变化。为了提升炼化企业经济效益,应用专业软件建立企业的非线性生产计划优化模型,应用模型开展原油加工效益测算分析是国内外石化企业的普遍做法。本文提出了一种炼厂原油加工效益拐点追踪及根本原因分析方法,该方法通过二分法精确追踪原油加工的边际效益拐点,并通过关联约束的边际效益状态变化识别导致边际效益发生突变的瓶颈因素。该方法在自主研发的国产炼化计划优化软件平台RIPO上实现。采用某企业数据进行了测算,结果表明本方法可快速得到炼厂加工原油的边际效益曲线,并能准确定位边际效益发生突变的拐点及引起拐点的根本原因,为炼厂制定科学合理的原油加工方案,提升经济效益提供了支持。 展开更多
关键词 炼油化工 原油边际效益 拐点追踪 根本原因分析 二分法
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工程机械设备精细化管理方法研究 被引量:1
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作者 龙家福 《价值工程》 2026年第2期48-51,共4页
随着工程建设发展,工程机械设备对项目进度、质量和成本影响显著。传统管理方法已难满足需求,精细化管理的研究与应用愈发重要。对设备全方位、全过程的精细管理,通过精确控制和优化流程提升综合效益,能提高设备运行效率、延长使用寿命... 随着工程建设发展,工程机械设备对项目进度、质量和成本影响显著。传统管理方法已难满足需求,精细化管理的研究与应用愈发重要。对设备全方位、全过程的精细管理,通过精确控制和优化流程提升综合效益,能提高设备运行效率、延长使用寿命,降低故障率和维修成本,保障项目顺利推进。本研究旨在探讨有效方法,为工程建设提供科学、经济的管理方案,推动行业可持续发展。具体而言,本研究将聚焦于设备选型论证、动态调度优化、预防性维护策略三大核心模块,结合物联网传感技术和大数据分析平台,构建“数据驱动-智能决策”的管理闭环系统。 展开更多
关键词 工程机械设备 精细化 管理方法
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AMR磁传感器横轴效应两种补偿方法的对比研究
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作者 何宏 冯乐 张志宏 《化工自动化及仪表》 CAS 2015年第5期527-529 536,536,共4页
对三轴各向异性磁电阻(AMR)磁传感器横轴误差的旋转补偿法和非旋转补偿法进行对比分析,结果表明:旋转补偿法的偏差为0.002,非旋转补偿法的偏差为0.004;旋转补偿法的精度比非旋转补偿法的精度提高了将近一倍。
关键词 amr磁阻传感器 横轴效应 旋转补偿法 非旋转补偿方法 精度
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三维针刺复合材料精细化结构重构方法及力学性能预测
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作者 朱昭君 陈福振 +1 位作者 尹枭雄 李瑞锋 《航空材料学报》 北大核心 2026年第2期47-59,共13页
采用原位拉伸X射线micro-CT技术和图像分析及精细化结构重构方法,定量化描述三维针刺复合材料纤维以及裂纹精细化结构,建立针刺纤维束等纤维结构的重构模型,提出三维针刺复合材料微细宏观有限元模型建模方法,并应用于三维针刺复合材料... 采用原位拉伸X射线micro-CT技术和图像分析及精细化结构重构方法,定量化描述三维针刺复合材料纤维以及裂纹精细化结构,建立针刺纤维束等纤维结构的重构模型,提出三维针刺复合材料微细宏观有限元模型建模方法,并应用于三维针刺复合材料拉伸力学性能仿真分析。结果表明:拉伸载荷下三维针刺复合材料断裂位置出现纤维整体断裂,编织层承担较多的拉伸载荷,断裂纤维数量高于其他铺层纤维。通过ABAQUS用户子程序UMAT的二次开发和工艺参数化建模算法,在周期性单胞有限元分析中调用典型代表性单元模型进行细观渐进损伤分析,实现宏细观尺度之间工艺参数传递,并且与实验进行对比,预测的拉伸模量数值大于实验结果,误差为10.1%。本研究方法和结果可以为材料针刺工艺参数化建模和工艺设计及力学分析研究提供依据。 展开更多
关键词 三维针刺复合材料 精细化结构重构方法 原位X射线micro-CT技术 弹性模量 拉伸强度
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粉煤灰全组分炼制高值资源化进展与未来展望
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作者 张立文 《当代化工研究》 2026年第1期33-35,共3页
粉煤灰(Coal Fly Ash,CFA)含有15%~50%的Al_(2)O_(3),是潜在的二次铝资源。近二十年来,粉煤灰提铝技术取得较大发展,主要路线包括碱法、酸法及微波助溶、亚熔盐等新兴工艺。文章系统归纳各路线的优缺点,补充了近年来在工艺强化方面的最... 粉煤灰(Coal Fly Ash,CFA)含有15%~50%的Al_(2)O_(3),是潜在的二次铝资源。近二十年来,粉煤灰提铝技术取得较大发展,主要路线包括碱法、酸法及微波助溶、亚熔盐等新兴工艺。文章系统归纳各路线的优缺点,补充了近年来在工艺强化方面的最新进展,并展望了未来的发展趋势。 展开更多
关键词 粉煤灰 氧化铝 碱法 酸法 亚熔盐 全组分炼制
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基于格子Boltzmann方法的自适应局部网格加密算法
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作者 张海铭 魏如普 《自动化应用》 2026年第2期238-240,共3页
对于一些复杂流动的模拟,局部网格加密的格子Boltzmann方法能将计算资源更合理地分配给各子区域,提高计算效率。为避免网格耦合的复杂计算,对网格耦合采取新方案。首先,推导出分布函数平衡态部分与非平衡态部分关于Knudsen数的关系式。... 对于一些复杂流动的模拟,局部网格加密的格子Boltzmann方法能将计算资源更合理地分配给各子区域,提高计算效率。为避免网格耦合的复杂计算,对网格耦合采取新方案。首先,推导出分布函数平衡态部分与非平衡态部分关于Knudsen数的关系式。然后,设计一种结合多块网格和多层网格的特殊网格结构,并提供网格耦合的细节和演化计算的完整循环。最后,对顶盖驱动方腔流进行数值模拟,良好的数值结果证实该自适应局部加密算法的可靠性。 展开更多
关键词 格子BOLTZMANN方法 自适应网格加密 网格耦合
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基于极限场景法的燃气掺氢综合能源系统两阶段低碳经济调度
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作者 胡俊杰 吴俊 刘雪涛 《电力系统自动化》 北大核心 2026年第7期118-128,共11页
氢能具有能量密度高、清洁性高的特点,将其引入综合能源系统对于促进能源结构转型具有重要意义。为充分发挥氢能在降低碳排放和促进系统经济运行方面的优势,提出了基于极限场景法的燃气掺氢综合能源系统两阶段低碳经济调度模型。首先,... 氢能具有能量密度高、清洁性高的特点,将其引入综合能源系统对于促进能源结构转型具有重要意义。为充分发挥氢能在降低碳排放和促进系统经济运行方面的优势,提出了基于极限场景法的燃气掺氢综合能源系统两阶段低碳经济调度模型。首先,分析电转气(P2G)与气转电(G2P)两个过程的能源转化形式与设备的耦合特性,建立了电解槽变效率动态运行模型以及细致考虑能量转换过程的掺氢燃气轮机精细化混合燃烧出力模型。其次,结合极限场景法构建数据驱动的风光出力不确定集,提出日前-日内两阶段综合能源系统低碳经济调度模型。其中,日前阶段的计划方案最小化机组成本、备用容量成本、购能成本以及弃风弃光成本;日内阶段则以系统的各设备运行成本、碳交易成本以及调整成本最低为目标对日前计划进行实时修正,并采用滚动优化的方式求解。最后,通过仿真算例证明了所提模型在促进系统低碳经济运行与改进模型求解速率上具有积极作用。 展开更多
关键词 综合能源系统 氢能 燃气掺氢 低碳经济调度 能源转化 极限场景法 精细化建模 数据驱动
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A large eddy simulation of flows around an underwater vehicle model using an immersed boundary method 被引量:8
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作者 Shizhao Wang Beiji Shi +1 位作者 Yuhang Li Guowei He 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2016年第6期302-305,共4页
A large eddy simulation (LES) of the flows around an underwater vehicle model at intermediate Reynolds numbers is performed. The underwater vehicle model is taken as the DARPA SUBOFF with full appendages, where the ... A large eddy simulation (LES) of the flows around an underwater vehicle model at intermediate Reynolds numbers is performed. The underwater vehicle model is taken as the DARPA SUBOFF with full appendages, where the Reynolds number based on the hull length is 1.0x 105, An immersed boundary method based on the moving-least-squares reconstruction is used to handle the complex geometric boundaries. The adaptive mesh refinement is utilized to resolve the flows near the hull, The parallel scalabilities of the flow solver are tested on meshes with the number of cells varying from 50 million to 3.2 billion, The parallel solver reaches nearly linear scalability for the flows around the underwater vehicle model, The present simulation captures the essential features of the vortex structures near the hull and in the wake, Both of the time-averaged pressure coefficients and srreamwise velocity profiles obtained from the LES are consistent with the characteristics of the flows pass an appended axisymmetric body. The code efficiency and its correct predictions on flow features allow us to perform the full-scale simulations on tens of thousands of cores with billions of grid points for higher-Reynolds-number flows around the underwater vehicles. 展开更多
关键词 Underwater vehicle SUBOFF Immersed boundary method Large eddy simulation Adaptive mesh refinement
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Can regional economy influence China's water use intensity?:based on refined LMDI method 被引量:4
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作者 Chenjun Zhang Hengquan Zhang 《Chinese Journal of Population,Resources and Environment》 2014年第3期247-254,共8页
China experienced a decline of water use intensity in the 11th Five Year Plan,but the water use intensity actually increased in 2009.To the best of our knowledge,the index decomposition analysis method was rarely used... China experienced a decline of water use intensity in the 11th Five Year Plan,but the water use intensity actually increased in 2009.To the best of our knowledge,the index decomposition analysis method was rarely used to analyze changes in water use,and no decomposition analysis has investigated the role of regional economy in the decline of water use intensity.In this paper,we use logarithmic mean Divisia index(LMDI)techniques to decompose the change of water use intensity in the period 2006-2010.We find that the change of industrial water use intensity is confirmed as the dominant contributor to the decline in the overall water use intensity;the regional structure effect and the industrial structure effect is positive to the decline of overall water use intensity;the decline of China's water use intensity is mainly attributed to the effect of developed eastern provinces;meanwhile,the effect of central and undeveloped western is also positive to the decline of overall water use intensity;at least one out of three effects is positive to the decline of water use intensity in the different provinces;the intensity effect is positive and the industrial structure effect is positive to the declines of China's water use intensity based on chaining approach except the period 2008-2009,individually;and the deviation of regional structure effect and industrial structure effect between with regional economy and without regional economy in LMDI is 0.9 and2.3 m^3/10~4 RMB,respectively. 展开更多
关键词 water use INTENSITY DECOMPOSITION refined LMDI method REGIONAL ECONOMY
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OpenIFEM:A High Performance Modular Open-Source Software of the Immersed Finite Element Method for Fluid-Structure Interactions 被引量:3
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作者 Jie Cheng Feimi Yu Lucy T.Zhang 《Computer Modeling in Engineering & Sciences》 SCIE EI 2019年第4期91-124,共34页
We present a high performance modularly-built open-source software-OpenIFEM.OpenIFEM is a C++implementation of the modified immersed finite element method(mIFEM)to solve fluid-structure interaction(FSI)problems.This s... We present a high performance modularly-built open-source software-OpenIFEM.OpenIFEM is a C++implementation of the modified immersed finite element method(mIFEM)to solve fluid-structure interaction(FSI)problems.This software is modularly built to perform multiple tasks including fluid dynamics(incompressible and slightly compressible fluid models),linear and nonlinear solid mechanics,and fully coupled fluid-structure interactions.Most of open-source software packages are restricted to certain discretization methods;some are under-tested,under-documented,and lack modularity as well as extensibility.OpenIFEM is designed and built to include a set of generic classes for users to adapt so that any fluid and solid solvers can be coupled through the FSI algorithm.In addition,the package utilizes well-developed and tested libraries.It also comes with standard test cases that serve as software and algorithm validation.The software can be built on cross-platform,i.e.,Linux,Windows,and Mac OS,using CMake.Efficient parallelization is also implemented for high-performance computing for large-sized problems.OpenIFEM is documented using Doxygen and publicly available to download on GitHub.It is expected to benefit the future development of FSI algorithms and be applied to a variety of FSI applications. 展开更多
关键词 Immersed FINITE element method OPEN-SOURCE PARALLELIZATION fluid-structure interaction adaptive MESH refinement
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A Refined Method for Estimating the Annual Extreme Wave Heights at A Project Site 被引量:2
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作者 徐德伦 范海梅 张军 《海洋工程:英文版》 2003年第1期21-32,共12页
This paper presents a refined method for estimating the annual extreme wave heights at a coastal or offshore project site on the basis of the data acquired at some nearby routine hydrographic stations. This method is ... This paper presents a refined method for estimating the annual extreme wave heights at a coastal or offshore project site on the basis of the data acquired at some nearby routine hydrographic stations. This method is based on the orthogonality principle in linear mean square estimation of stochastic processes. The error of the method is analyzed and compared with that of the conventional method. It is found that the method is able to effectively reduce the error so long as some feasible measures are adopted. A simulated test of the method has been conducted in a large scale wind wave flume. The test results are in good agreement with those given by theoretical error analysis. A scheme to implement the method is proposed on the basis of error analysis. The scheme is so designed as to reduce the estimation error as far as possible. This method is also suitable to utilizing satellite wave data for the estimation. 展开更多
关键词 annual extreme wave height estimation refined method simulated test
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Two-Dimensional Euler Adaptive Mesh Method on Detonation 被引量:1
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作者 郝鹏程 冯其京 姚雯 《Journal of Beijing Institute of Technology》 EI CAS 2009年第2期141-145,共5页
The adaptive mesh refinement (AMR) method is applied in the 2-D Euler multi-component elasticplastic hydrodynamics code (MEPH2Y). It is applied on detonation. Firstly, the AMR method is described, including a cons... The adaptive mesh refinement (AMR) method is applied in the 2-D Euler multi-component elasticplastic hydrodynamics code (MEPH2Y). It is applied on detonation. Firstly, the AMR method is described, including a conservative spatial interpolation, the time integration methodology with the adapitve time increment and an adaptive computational region method. The advantage of AMR technique is exhibited by numerical examples, including the 1-D C-J detonation and the 2-D implosion ignited from a single point. Results show that AMR can promote the computational efficiency, keeping the accuracy in interesting regions. 展开更多
关键词 adaptive mesh refinement amr DETONATION two-dimension EULER numerical simulation
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Structural analysis by Rietveld refinement of calcium and lanthanum phosphosilicate apatites 被引量:1
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作者 Hela Njema Khaled Boughzala +1 位作者 Habib Boughzala Khaled Bouzouita 《Journal of Rare Earths》 SCIE EI CAS CSCD 2013年第9期897-904,共8页
Britholites with the general formula Ca10-xLnx(PO4)6-x(SiO4)xF2, (0≤x≤6) are considered to be promising matrices for the confinement of the by-products in the nuclear industry. A thermodynamic study showed tha... Britholites with the general formula Ca10-xLnx(PO4)6-x(SiO4)xF2, (0≤x≤6) are considered to be promising matrices for the confinement of the by-products in the nuclear industry. A thermodynamic study showed that the stability of these compounds de-creased as the substitution rate increased. The present work was an attempt to gain more information about the structural changes in-duced by the substitution, in order to understand the observed stability decrease. The samples were successfully synthesized as a sin-gle-phase apatite by a solid-state reaction between 1200 and 1400 °C. The structural refinement indicated that the La3+ions preferen-tially occupied the 6(h) sites. A progressive shift of F-along the c-axis outside its ideal position occurred as a result of the substitution increase. This might be the cause of the observed stability decrease, especially as the energies of the La-O, La-F and Si-O bonds are higher than those of Ca-O, Ca-F and P-O. The distribution of La3+ between the two non-equivalent sites was confirmed by the charge distribution method. 展开更多
关键词 britholites Rietveld refinement infrared spectroscopy charge distribution method rare earths
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