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This paper presents an artificial neural network-based multiscale method for coupling continuum and molecular simulations. Molecular dynamics modelling is employed as a local “high resolution” refinement of computational data required by the continuum computational fluid dynamics solver. The coupling between atomistic and continuum simulations is obtained by an artificial neural network (ANN) methodology. The ANN aims to optimise the transfer of information through minimisation of (1) the computational cost by avoiding repetitive atomistic simulations of nearly identical states, and (2) the fluctuation strength of the atomistic outputs that are fed back to the continuum solver. Results are presented for prototype flows such as the isothermal Couette flow with slip boundary conditions and the slip Couette flow with heat transfer. 相似文献
33.
The article evaluates the pre-accession experience of new European Union member-states, coming from the former Eastern bloc, estimating an empirical model used to account for regional–industrial employment growth in the early transition period, 1991–2000. The results obtained indicate the adverse impact of the economic integration dynamics and detect the interplay among structural characteristics and geographical coordinates that determines the relative winners. The findings of the article have important implications for both theory and policy. 相似文献
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Marios Sagris Emmanouil P. Vardas Panagiotis Theofilis Alexios S. Antonopoulos Evangelos Oikonomou Dimitris Tousoulis 《International journal of molecular sciences》2022,23(1)
Atrial fibrillation (AF) is the most frequent arrhythmia managed in clinical practice, and it is linked to an increased risk of death, stroke, and peripheral embolism. The Global Burden of Disease shows that the estimated prevalence of AF is up to 33.5 million patients. So far, successful therapeutic techniques have been implemented, with a high health-care cost burden. As a result, identifying modifiable risk factors for AF and suitable preventive measures may play a significant role in enhancing community health and lowering health-care system expenditures. Several mechanisms, including electrical and structural remodeling of atrial tissue, have been proposed to contribute to the development of AF. This review article discusses the predisposing factors in AF including the different pathogenic mechanisms, sedentary lifestyle, and dietary habits, as well as the potential genetic burden. 相似文献
36.
以三倍体毛白杨为研究对象,进行了常规硫酸盐法蒸煮。采用酶-弱酸解两段法分别从原料和KP纸浆中分离出原料木素和纸浆残余木素。采用酸析法从KP蒸煮黑液中分离出溶出木素样品,经过弱酸水解得到纯木素试样。通过凝胶渗透色谱分析(GPC),对所有试样分别进行了分子质量的检测,得出各种木素样品的分子质量及其分布,分析了木素溶出过程中的分子质量的变化。通过磷谱核磁共振31P-NMR技术得出木素结构谱图,对原料木素、纸浆残余木素和黑液溶出木素结构中各官能团进行了定量分析对比,研究了木素结构在KP蒸煮过程中的变化规律。 相似文献
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Adamantia Varympopi Anastasia Dimopoulou Dimitris Papafotis Pavlos Avramidis Ioannis Sarris Theodora Karamanidou Alexandra Kaldeli Kerou Afroditi Vlachou Eleftherios Vellis Andreas Giannopoulos Kosmas Haralampidis Ioannis Theologidis Dimitris G. Hatzinikolaou Alexander Tsouknidas Nicholas Skandalis 《International journal of molecular sciences》2022,23(8)
Copper-based bactericides have appeared as a new tool in crop protection and offer an effective solution to combat bacterial resistance. In this work, two copper nanoparticle products that were previously synthesized and evaluated against major bacterial and fungal pathogens were tested on their ability to control the bacterial spot disease of tomato. Growth of Xanthomonas campestris pv. vesicatoria, the causal agent of the disease, was significantly suppressed by both nanoparticles, which had superior function compared to conventional commercial formulations of copper. X-ray fluorescence spectrometry measurements in tomato leaves revealed that bioavailability of copper is superior in the case of nanoparticles compared to conventional formulations and is dependent on synthesis rather than size. This is the first report correlating bioavailability of copper to nanoparticle efficacy. 相似文献
39.
The power densities present within a fusion device and its heating systems require the use of high heat flux (HHF) devices to sustain power densities >10 MW/m2 in steady state. One such device, known as the Hypervapotron, uses internal water cooling along with a series of fins and cavities perpendicular to the flow to maximise the heat transfer capability. UKAEA, in collaboration with Cranfield University, have initiated a study whereby computational fluid dynamics (CFD) software will be used to predict the variation of heat transfer coefficients (HTC) throughout the Hypervapotron, allowing accurate calculations of both thermal and thermo-mechanical performance. In this paper, the first steps in this process are presented. In particular, different turbulence models are assessed and best practices identified for predicting single phase flow and heat transfer within Hypervapotron-sized cavities. 相似文献
40.
Panagiotis Theofilis Marios Sagris Evangelos Oikonomou Alexios S. Antonopoulos Konstantinos Tsioufis Dimitris Tousoulis 《International journal of molecular sciences》2022,23(6)
Platelets are at the forefront of human health and disease following the advances in their research presented in past decades. Platelet activation, their most crucial function, although beneficial in the case of vascular injury, may represent the initial step for thrombotic complications characterizing various pathologic states, primarily atherosclerotic cardiovascular diseases. In this review, we initially summarize the structural and functional characteristics of platelets. Next, we focus on the process of platelet activation and its associated factors, indicating the potential molecular mechanisms involving inflammation, endothelial dysfunction, and miRs. Finally, an overview of the available antiplatelet agents is being portrayed, together with agents possessing off-set platelet-inhibitory actions, while an extensive presentation of drugs under investigation is being given. 相似文献