Ralph H. Scheicher

The International Conference on Computational & Experimental Engineering and Sciences, Vol.19, No.3, pp. 93-94, 2011, DOI:10.3970/icces.2011.019.093

Abstract The purpose of this talk is to provide an overview of the most recent theoretical studies undertaken by us in the field of hydrogen storage materials research. On selected examples, the application of our computational tool of choice, density functional theory, will be illustrated to show how ab initio calculations can be of use in the effort to reach a better understanding of hydrogen storage materials and to occasionally also guide the search for new promising approaches. Systems to be discussed include: Metal-organic frameworks, where we have studied hydrogen physisorption in three different types of iso-reticular MOFs, namely Zn-/Mg-/Ca-MOF16, decorated… More >

Gotthard Seifert, Aliezer Martinez Mesa, Sergei Yurchenko, Bassem Assfour¹, Thomas Heine³, Sergei Patchkovsk

The International Conference on Computational & Experimental Engineering and Sciences, Vol.18, No.1, pp. 21-22, 2011, DOI:10.3970/icces.2011.018.021

Abstract In this study structural characteristics of several carbon based nanostructures and organic frameworks as metal organic frameworks (MOF) and covalent organic frameworks (COF) on the hydrogen abundance in the material are investigated with the quantized liquid density functional theory (QLDFT), Molecular Dynamics (MD) and Grand Canonical Monte Carlo (GCMC). We applied these theories to evaluate the hydrogen storage capacities of nanoporous materials: Compact storage of hydrogen is the key challenge facing adoption of hydrogen as fuel for mobile applications. A promising approach to increase the storage densities is the adsorption of molecular hydrogen in porous environments. We have studied in… More >

X.H. Du, X.P. Shen

The International Conference on Computational & Experimental Engineering and Sciences, Vol.16, No.3, pp. 81-82, 2011, DOI:10.3970/icces.2011.016.081

Abstract Aim of this paper is to simulate the fluid-structure interaction of liquefied natural gas (LNG) prestressed storage tank under seismic influence. The coupled Eulerian-Lagrangian (CEL) analysis technique is used to simulate the hydrodynamic interaction between LNG and the cylinder of LNG prestressed storage tank. The 3-D model of LNG has been dispersed by Eulerian mesh which is different from traditional added mass analysis method. Meanwhile, both of the 3-D models of prestressed rebar and concrete structure are dispersed by Lagrangian mesh. Following conclusions are obtained: 1) Natural frequency of the whole model has been obtained by using the Block Lanczos… More >

Suli Shi, Yu Qiang, Yuanwei Lu*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.22, No.3, pp. 158-158, 2019, DOI:10.32604/icces.2019.05362

Abstract Low cost heat charge and discharge can be realized by the single storage thermal tank integrated with a coil heat exchanger and an annular baffle. Arrangements of the coil heat exchanger will directly affect the heat discharging performance of the system. Simulations were performed for six arrangements of the coil heat exchanger which are evaluated by outlet temperature, heat transfer rate and heat discharging efficiency. For different arrangements, the law of heat discharging performance of the single thermal storage tank is given, and the change of flow field around the coil heat exchanger is analyzed. The results show that the… More >

M. Katagiri, H. Onodera¹, H. Ogawa², N. Nishikawa³

The International Conference on Computational & Experimental Engineering and Sciences, Vol.6, No.1, pp. 72-80, 2008, DOI:10.3970/icces.2008.006.072

Abstract The microscopic mechanism of Hydrogen-Induced Amorphization (HIA) in C15 Laves phases of AB$_2$ compounds is studied. Experimentally, compounds in which the AA internuclear distance is reduced and BB internuclear distance expanded compared to pure crystals show Hydrogen-Induced Amorphization which suggests that the relative atomic size is the controlling factor. We investigate the role of the size effect by static and Molecular Dynamics methods using Lennard-Jones potentials. Our simulations show that in such a compound, the bulk modulus is remarkably reduced by hydrogenation compared to the isotropic tensile load, so that elastic instability is facilitated. This situation is caused by the… More >

D.W. Brenner, O.A. Shenderova, D.A. Areshkin, J.D. Schall¹, S.-J. V. Frankland²

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.5, pp. 643-674, 2002, DOI:10.3970/cmes.2002.003.643

Abstract The derivation of a bond-order potential energy function and a self-consistent tight-binding scheme is presented, followed by a survey of the application of these methods to calculating properties of carbon nanostructures. The modeling studies discussed include properties of functionalized and kinked carbon nanotubes, Raman shifts for hydrogen stored in nanotubes, nanotubes in a composite, properties of nanotubes in applied potential (electrical) fields, and structures and properties of nanocones, nanodiamond clusters and rods, and hybrid diamond-nanotube structures. More >

Jian Qi¹, Yongjun Ren^1,2,*, Qirun Wang³

Journal on Big Data, Vol.1, No.1, pp. 9-15, 2019, DOI:10.32604/jbd.2019.06290

Abstract With the rapid development of e-government, e-commerce and self-media, a large number of electronic network records have been generated on the Internet. How to archive these resources has become a focus of attention in academic circles. Based on the theory of linked data, this paper analyzes the archiving of electronic records, and proposes that the corresponding network electronic records should be collected using the theory of linked data. After the resource description framework and corresponding international standards are utilized to convert the network resources, the electronic network records are stored in common databases to solve the problem of network record… More >

Yan Leng^1,2, Yongjun Ren^1,2,*, Chengshan Qian³, Jinyue Xia⁴

Journal on Big Data, Vol.1, No.1, pp. 39-45, 2019, DOI:10.32604/jbd.2019.05870

Abstract With the rapid development of E-commerce and E-government, there are so many electronic records have been produced. The increasing number of electronic records brings about storage difficulties, the traditional electronic records center is difficult to cope with the current fast growth requirements of electronic records storage and management. Therefore, it is imperative to use cloud storage technology to build electronic record centers. However, electronic records also have weaknesses in the cloud storage environment, and one of them is that once electronic record owners or managers lose physical control of them, the electronic records are more likely to be tampered with… More >

Qirun Wang^1,2, Fujian Zhu^3,4, Yan Leng^3,4, Yongjun Ren^3,4,*, Jinyue Xia⁵

Journal on Internet of Things, Vol.1, No.1, pp. 33-39, 2019, DOI:10.32604/jiot.2019.05898

Abstract With the rapid development of E-commerce and E-government, there are so many electronic records have been produced. The increasing number of electronic records brings about storage difficulties, the traditional electronic records center is difficult to cope with the current fast growth requirements of electronic records storage and management. Therefore, it is imperative to use cloud storage technology to build electronic record centers. However, electronic records also have weaknesses in the cloud storage environment, and one of them is that once electronic record owners or managers lose physical control of them, the electronic records are more likely to be tampered with… More >

Qi Liu^1,2, Zhiyun Yang¹, Xiaodong Liu³, Scholas Mbonihankuye^4,*

Journal of New Media, Vol.1, No.2, pp. 101-113, 2019, DOI:10.32604/jnm.2019.06958

Abstract This paper aims to study energy consumption in a house. Home energy man-agement system (HEMS) has become very important, because energy consumption of a residential sector accounts for a significant amount of total energy consumption. However, a conventional HEMS has some architectural limitations among dimensional variables reusability and interoperability. Furthermore, the cost of implementation in HEMS is very expensive, which leads to the disturbance of the spread of a HEMS. Therefore, this study proposes an Internet of Things (IoT) based HEMS with lightweight photovoltaic (PV) system over dynamic home area networks (DHANs), which enables the construction of a HEMS to… More >