scholarly journals Estimates for the Effective Permeability of Intact Granite Obtained from the Eastern and Western Flanks of the Canadian Shield

Minerals ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 667
Author(s):  
A. P. S. Selvadurai ◽  
A. Blain-Coallier ◽  
P. A. Selvadurai
Keyword(s):  
Effective Permeability ◽  
Computational Models ◽  
Granitic Rock ◽  
Geometric Mean ◽  
Surface Region ◽  
Canadian Shield ◽  
Surface Permeability ◽  
Experimental Values ◽  
The One ◽  
High Level

Granitic rock from the western part of the Canadian Shield is considered as a potential host rock for the siting of a deep geological repository for the storage of heat-emitting high-level nuclear fuel waste. The research program focused on the use of surface permeability measurements conducted at 54 locations on a 300 mm cuboid of granite, obtained from the Lac du Bonnet region in Manitoba, to obtain an estimate for the effective permeability of the cuboid. Companion experiments are conducted on a 280 mm cuboid of granite obtained from Stanstead, Quebec, located in the eastern part of the Canadian Shield. The surface permeabilities for the cuboids of granite are developed from theoretical relationships applicable to experimental situations where steady flow is initiated at a sealed annular surface region with a pressurized central domain. The experimental values for the surface permeability are used with a kriging procedure to estimate the permeability variations within the cuboidal region. The spatial variations of permeability are implemented in computational models of the cuboidal regions to determine the one-dimensional permeabilities in three orthogonal directions. The effective permeability of the granite cuboids is estimated by appeal to the geometric mean. The research provides a non-destructive methodology for estimating the effective permeability of large specimens of rock and the experiments performed give estimates for the effective permeability of the two types of granitic rock obtained from the western and eastern flanks of the Canadian Shield.

DFT Benchmark Study of the O--O Bond Dissociation Energy in Peroxides Validated with High-Level Ab-Initio Calculations

2019 ◽  
Author(s):  
Danilo Carmona ◽  
Pablo Jaque ◽  
Esteban Vöhringer-Martinez
Keyword(s):  
Reference Value ◽  
Basis Set ◽  
Basis Sets ◽  
Mean Deviation ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
The Mean ◽  
Experimental Values ◽  
High Level ◽  
Almost All

<div><div><div><p>Peroxides play a central role in many chemical and biological pro- cesses such as the Fenton reaction. The relevance of these compounds lies in the low stability of the O–O bond which upon dissociation results in radical species able to initiate various chemical or biological processes. In this work, a set of 64 DFT functional-basis set combinations has been validated in terms of their capability to describe bond dissociation energies (BDE) for the O–O bond in a database of 14 ROOH peroxides for which experimental values ofBDE are available. Moreover, the electronic contributions to the BDE were obtained for four of the peroxides and the anion H2O2− at the CBS limit at CCSD(T) level with Dunning’s basis sets up to triple–ζ quality provid- ing a reference value for the hydrogen peroxide anion as a model. Almost all the functionals considered here yielded mean absolute deviations around 5.0 kcal mol−1. The smallest values were observed for the ωB97 family and the Minnesota M11 functional with a marked basis set dependence. Despite the mean deviation, order relations among BDE experimental values of peroxides were also considered. The ωB97 family was able to reproduce the relations correctly whereas other functionals presented a marked dependence on the chemical nature of the R group. Interestingly, M11 functional did not show a very good agreement with the established order despite its good performance in the mean error. The obtained results support the use of similar validation strategies for proper prediction of BDE or other molecular properties by DF Tmethods in subsequent related studies.</p></div></div></div>

Relations between carbon removal rates, biofilm size and density of a novel anaerobic reactor: the inverse turbulent bed

2000 ◽  
Vol 41 (4-5) ◽  
pp. 253-260 ◽  
Author(s):  
P. Buffière ◽  
R. Moletta
Keyword(s):  
Removal Rate ◽  
Removal Rates ◽  
Carbon Removal ◽  
Biofilm Growth ◽  
Loading Rates ◽  
Biomass Activity ◽  
High Turbulence ◽  
The One ◽  
High Level ◽  
Very High

An anaerobic inverse turbulent bed, in which the biogas only ensures fluidisation of floating carrier particles, was investigated for carbon removal kinetics and for biofilm growth and detachment. The range of operation of the reactor was kept within 5 and 30 kgCOD· m−3· d−1, with Hydraulic Retention Times between 0.28 and 1 day. The carbon removal efficiency remained between 70 and 85%. Biofilm size were rather low (between 5 and 30 μm) while biofilm density reached very high values (over 80 kgVS· m−3). The biofilm size and density varied with increasing carbon removal rates with opposite trends; as biofilm size increases, its density decreases. On the one hand, biomass activity within the reactor was kept at a high level, (between 0.23 and 0.75 kgTOC· kgVS· d−1, i.e. between 0.6 and 1.85 kgCOD·kgVS · d−1).This result indicates that high turbulence and shear may favour growth of thin, dense and active biofilms. It is thus an interesting tool for biomass control. On the other hand, volatile solid detachment increases quasi linearly with carbon removal rate and the total amount of solid in the reactor levels off at high OLR. This means that detachment could be a limit of the process at higher organic loading rates.

scholarly journals Differences in subcortico-cortical interactions identified from connectome and microcircuit models in autism

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Bo-yong Park ◽  
Seok-Jun Hong ◽  
Sofie L. Valk ◽  
Casey Paquola ◽  
Oualid Benkarim ◽  
...  
Keyword(s):  
Data Exchange ◽  
Computational Models ◽  
Simulation Models ◽  
Autism Diagnostic Observation Schedule ◽  
Supervised Machine Learning ◽  
Global Network ◽  
Imaging Data ◽  
Phenotypic Data ◽  
Severity Scores ◽  
High Level

AbstractThe pathophysiology of autism has been suggested to involve a combination of both macroscale connectome miswiring and microcircuit anomalies. Here, we combine connectome-wide manifold learning with biophysical simulation models to understand associations between global network perturbations and microcircuit dysfunctions in autism. We studied neuroimaging and phenotypic data in 47 individuals with autism and 37 typically developing controls obtained from the Autism Brain Imaging Data Exchange initiative. Our analysis establishes significant differences in structural connectome organization in individuals with autism relative to controls, with strong between-group effects in low-level somatosensory regions and moderate effects in high-level association cortices. Computational models reveal that the degree of macroscale anomalies is related to atypical increases of recurrent excitation/inhibition, as well as subcortical inputs into cortical microcircuits, especially in sensory and motor areas. Transcriptomic association analysis based on postmortem datasets identifies genes expressed in cortical and thalamic areas from childhood to young adulthood. Finally, supervised machine learning finds that the macroscale perturbations are associated with symptom severity scores on the Autism Diagnostic Observation Schedule. Together, our analyses suggest that atypical subcortico-cortical interactions are associated with both microcircuit and macroscale connectome differences in autism.

scholarly journals Testing Todd: family types and development

2021 ◽  
pp. 1-18
Author(s):  
Jerg Gutmann ◽  
Stefan Voigt
Keyword(s):  
Rule Of Law ◽  
Civil Society Organizations ◽  
The Rule Of Law ◽  
State Fragility ◽  
Family Types ◽  
Low Levels ◽  
Parsimonious Model ◽  
The One ◽  
High Level

Abstract Many years ago, Emmanuel Todd came up with a classification of family types and argued that the historically prevalent family types in a society have important consequences for its economic, political, and social development. Here, we evaluate Todd's most important predictions empirically. Relying on a parsimonious model with exogenous covariates, we find mixed results. On the one hand, authoritarian family types are, in stark contrast to Todd's predictions, associated with increased levels of the rule of law and innovation. On the other hand, and in line with Todd's expectations, communitarian family types are linked to racism, low levels of the rule of law, and late industrialization. Countries in which endogamy is frequently practiced also display an expectedly high level of state fragility and weak civil society organizations.

scholarly journals The S66 Non-Covalent Interactions Benchmark Reconsidered Using Explicitly Correlated Methods Near the Basis Set Limit

2018 ◽  
Vol 71 (4) ◽  
pp. 238 ◽  
Author(s):  
Manoj K. Kesharwani ◽  
Amir Karton ◽  
Nitai Sylvetsky ◽  
Jan M. L. Martin
Keyword(s):  
Computational Cost ◽  
The Other ◽  
Basis Set ◽  
Basis Sets ◽  
Explicitly Correlated ◽  
Non Covalent Interactions ◽  
Explicitly Correlated Methods ◽  
The One ◽  
High Level ◽  
Covalent Interactions

The S66 benchmark for non-covalent interactions has been re-evaluated using explicitly correlated methods with basis sets near the one-particle basis set limit. It is found that post-MP2 ‘high-level corrections’ are treated adequately well using a combination of CCSD(F12*) with (aug-)cc-pVTZ-F12 basis sets on the one hand, and (T) extrapolated from conventional CCSD(T)/heavy-aug-cc-pV{D,T}Z on the other hand. Implications for earlier benchmarks on the larger S66×8 problem set in particular, and for accurate calculations on non-covalent interactions in general, are discussed. At a slight cost in accuracy, (T) can be considerably accelerated by using sano-V{D,T}Z+ basis sets, whereas half-counterpoise CCSD(F12*)(T)/cc-pVDZ-F12 offers the best compromise between accuracy and computational cost.

scholarly journals Parametric study of hyperfine structure of Zr II even-parity levels

2016 ◽  
Vol 94 (12) ◽  
pp. 1310-1313 ◽  
Author(s):  
Safa Bouazza
Keyword(s):  
Hyperfine Structure ◽  
Ion Beam ◽  
Model Space ◽  
Laser Fluorescence ◽  
Beam Laser ◽  
Extended Space ◽  
Experimental Values ◽  
The One ◽  
Fast Ion ◽  
Laser Fluorescence Spectroscopy

Until now experimental hyperfine structure (hfs) data of 12 even-parity Zr II levels were given in the literature. Recently new hyperfine splitting measurements of 11 other Zr II levels, of the same parity are achieved, applying fast-ion-beam laser-fluorescence spectroscopy. The hfs of these 23 gathered levels has been analysed by simultaneous parametrisation of the one- and two-body interactions, first in model space (4d + 5s)3 and secondly in extended space. For the three lowest configurations, radial parameters of the magnetic dipole A and quadrupole electric B factors are deduced in their entirety for 91Zr II, compared and discussed with calculated values, available in the literature, and also with ours, computed by means of the ab initio method. For instance we give the main experimental values of the extracted single-electron hfs parameters of 4d25s: [Formula: see text] = –2701 MHz, [Formula: see text] = –122.4 MHz, and [Formula: see text] = –113.5 MHz.

Computational models of filtration gas combustion

2017 ◽  
Vol 32 (2) ◽  
Author(s):  
Yuri M. Laevsky ◽  
Tatyana A. Nosova
Keyword(s):  
Heat Flow ◽  
Numerical Experiments ◽  
Computational Models ◽  
Two Dimensional ◽  
Multidimensional Model ◽  
Gas Combustion ◽  
Total Enthalpy ◽  
Diffusive Flow ◽  
Temperature Heat ◽  
The One

AbstractA multidimensional model of filtration gas combustion is presented. The model is based on the system of conservation laws of ‘temperature – heat flow’, ‘mass–diffusive flow’ types with introducing the concept of total enthalpy flow. Results of numerical experiments are presented for the one- and two-dimensional problems for different conditions and parameters.

scholarly journals Using Supermarket Loyalty Card Data to Provide Personalised Advice to Help Reduce Saturated Fat Intake among Patients with Hypercholesterolemia: A Qualitative Study of Participants’ Experiences

Nutrients ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 1146
Author(s):  
Charlotte L. Lee ◽  
Paul N. Aveyard ◽  
Susan A. Jebb ◽  
Carmen Piernas
Keyword(s):  
Qualitative Study ◽  
Saturated Fat ◽  
Behavioural Intervention ◽  
Telephone Interviews ◽  
Food Purchases ◽  
Acceptable Method ◽  
The One ◽  
High Level ◽  
Brief Advice ◽  
Loyalty Card

Background: The ‘Primary Care SHOPping Intervention for Cardiovascular Disease Prevention’ (PCSHOP) trial tested the effectiveness and feasibility of a behavioural intervention to reduce saturated fat in food purchases. The intervention offered feedback from data collected through a supermarket loyalty card to supplement brief advice from a nurse. This qualitative study aimed to describe participants’ experiences of receiving this intervention. Methods: We conducted semi-structured, one-to-one, telephone interviews with participants from the PCSHOP trial. Interviews were audio-recorded and transcribed verbatim. We employed the one sheet of paper technique and a thematic analysis to develop high-level themes in NVivo software. Results: Twenty-four participants were interviewed (mean age: 63 years (SD 12)). They reported that the brief advice did not provide any new information but they welcomed the sense of accountability the nurse provided. The personalised shopping feedback and healthier swap suggestions provided novel information that challenged previously held beliefs about the saturated fat content of food purchases and encouraged some positive dietary changes. However, the taste preferences of the participant or other household members were a barrier to changing food shopping behaviours. Conclusion: Harnessing loyalty card data is a novel and acceptable method to offering personalised dietary feedback. Yet, issues on the suitability of the healthier swap suggestions limited the extent of dietary change. Trial registration: ISRCTN14279335. Registered 1 September 2017.

STUDY OF THE INFLUENCE OF THE LEVEL OF ANXIETY DEVELOPMENT ON THE ACADEMIC PERFORMANCE OF PRIMARY SCHOOL STUDENTS

Vestnik ◽  
2021 ◽  
pp. 155-160
Author(s):  
А.Е. Малибаева ◽  
Б.К. Кайрат ◽  
А.И. Нуфтиева ◽  
Л.Б. Умбетьярова ◽  
М.С. Кулбаева ◽  
...  
Keyword(s):  
Academic Performance ◽  
Learning Outcomes ◽  
Learning Process ◽  
Child Anxiety ◽  
Lower Class ◽  
The Other ◽  
Primary School Students ◽  
School Students ◽  
The One ◽  
High Level

В современных стрессовых и негативных внешних экологических условиях растет число неуверенных в себе, эмоционально неустойчивых тревожных детей. В работах А.И.Захаровой, Н.В.Имеладзе, Л.М. Прихожановой говорится, что когда человек постоянно волнуется - возникает паника. Согласно анализу исследований многих авторов, детская тревога, с одной стороны, имеет психодинкамическую природу, с другой-является результатом социализации. По мнению психологов, у учащихся наблюдается высокий уровень тревожности в процессе обучения. В результате изучения данной проблемы установлено, что уровень тревожности и успеваемость ребенка тесно взаимосвязаны. Процесс приобщения детей, пришедших в школу, к процессу обучения тесно связан с процессом паники . In the current stressful and negative external environmental conditions, the number of insecure, emotionally unstable children with anxiety is growing. In the works of A.I. Zakharova, N.V. Imeladze, L.M. Prikhozhan, it is said that when a person is constantly agitated, panic occurs. According to the analysis of the research of many authors, child anxiety, on the one hand, has a psychodynamic nature, and on the other-is the result of socialization. According to psychologists, there is a high level of anxiety in students ' learning process. As a result of the study of this problem, it was found that the level of anxiety and the child's academic performance are closely related. The process of adaptation of children to the learning process is closely related to the panic process. However, the level of anxiety in lower-class students affects the learning process and learning outcomes.

STUDI KRITIS JUAL BELI DEKORASI UANG MASKAWIN

Al-MAJAALIS ◽  
2018 ◽  
Vol 6 (1) ◽  
pp. 1-36
Author(s):  
Muhammad Arifin Badri
Keyword(s):  
The Other ◽  
Other Hand ◽  
Business Opportunities ◽  
The Law ◽  
The One ◽  
High Level

This study aims to examine the laws of dowry money decoration that are common in the community. The innovation and soul of art that is channeled through décor of dowry money is proven to produce beautiful and unique works, so as to attract the attention and interest of the wider community. However, because to produce beautiful and unique works, a high level of creativity is needed, so not everyone can do it. On the one hand, this phenomenon opens up quite good business opportunities, but on the other hand, it should be watched out, because in some conditions it contains the practice of buying and selling currencies with nominal differences. Through this study, I would like to uncover the law of buying and selling practices decorating dowry money and decorating services. As I also intend to present an applicative solution for the community so that they can still channel their artistic talents without violating Shari’ah law.

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