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Importance of charge self-consistency in first-principles description of strongly correlated systems

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npj Computational Materials 2021年第1期7卷 1949-1956页

作者： Swagata Acharya Dimitar Pashov Alexander N.Rudenk Malte Rösner mark van.schilfgaarde Mikhail I.Katsnelson Institute for Molecules and Materials Radboud UniversityNijmegen 6525 AJThe Netherlands Theory and Simulation of Condensed Matter King's College LondonThe StrandLondon WC2R2LSUK National Renewable Energy Laboratory Golden80401 ColoradoUSA

First-principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or *** the electronic correlations become stronger often embedding methods based on first-principles approaches are used to better treat the correlations by solving a suitably chosen many-body Hamiltonian with a higher level *** success of such embedding theories,often referred to as second-principles,is commonly measured by the quality of self-energy E which is either a function of energy or momentum or ***,E should,in principle,also modify the electronic eigenfunctions and thus change the real space charge *** such practices are not prevalent,some works that use embedding techniques do take into account these *** such cases,choice of partitioning,of the parameters defining the correlated Hamiltonian,of double-counting corrections,and the adequacy of low-level Hamiltonian hosting the correlated subspace hinder a systematic and unambiguous understanding of such ***,for a large variety of correlated systems,strong correlations are largely confined to the charge *** an adequate non local low-order theory is important,and the high-order local correlations embedding contributes become *** we study the impact of charge self-consistency within two example cases,TiSez and CrBrs,and show how real space charge re-distribution due to correlation effects taken *** within a first-principles Green's function-based many-body perturbative approach is key in driving qualitative changes to the final electronic structure of these materials.

关键词： theory charge principles

Geologic data collection and assessment techniques in coal mining for ground control

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International Journal of Mining Science and Technology 2020年第1期30卷 131-139页

作者： mark van Dyke Ted Klemetti Joe Wickline NIOSH Pittsburgh15236 PAUSA Coronado Global Resources Inc. BeckleyWVUSA

The identification and mitigation of adverse geologic conditions are critical to the safety and productivity of underground coal mining *** anticipate and mitigate adverse geologic conditions,a formal method to evaluate geotechnical factors must be *** mine is unique and has its own separate approach for defining what an adverse geological condition consists *** collection of geologic data is a first critical step to creating a geological database to map these hazards efficiently and *** considerations must be taken into account,such as lithology of immediate roof and floor strata,seam height,gas and oil wells,faults,depressions in the mine floor(water)and increases in floor elevation(gas),overburden,streams and horizontal stress directions,amongst many other *** geologic data is collected,it can be refined and integrated into a database that can be used to develop maps showing the trend,orientation,and extent of the adverse geological *** information,delivered in a timely manner,allows mining personnel to be proactive in mine planning and support implementations,ultimately reducing the impacts of these *** paper covers geologic exploratory methods,data organization,and the value of collecting and interpreting geologic information in coal mines to enhance safety and *** implementation of the methods described above has been proven effective in predicting and mitigating adverse geologic conditions in underground coal *** re-evaluation of data collection methods,geologic interpretations,mapping procedures,and communication techniques ensures continuous improvement in the accuracy of predictions and mitigation of adverse geologic *** a concise record of the work previously done to track geologic conditions at a mine will allow for the smoothest transition during employee turnover and *** refinements and standardization of data collection methods,

关键词： Roof control Database Mapping Hazards Geology

Emerging role of A-kinase anchoring protein 5 signaling in reward circuit function

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Neural Regeneration Research 2025年第10期20卷 2913-2914页

作者： William J.Flerlage mark L.Dell’Acqua Brian M.Cox Fereshteh S.Nugent Uniformed Services University of the Health Sciences Department of Pharmacology and Molecular TherapeuticsBethesdaMDUSA Department of Pharmacology University of Colorado School of MedicineAnschutz Medical CampusAuroraCOUSA

There is a strong evidence supporting the hypothesis of synaptic dysfunction as a major contributor to neural circuit and network disruption underlying emotional and mood dysregulation in psychiatric disorders(Simmons et al.,2024).Diverse sets of distinct molecular signaling pathways converge on the synapse to regulate synaptogenesis,synaptic function,and synaptic plasticity in brain regions and circuits through complex interactions organized by numerous multivalent protein scaffolds,including the family of proteins known as A-kinase anchoring proteins(AKAPs).

关键词： function supporting

Direct evidence of microbiological water quality changes on bacterial quantity and community caused by plumbing system

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Journal of Environmental Sciences 2022年第6期34卷 175-183页

作者： Jun Li Anran Ren Ed van der mark Gang Liu Key Laboratory of Drinking Water Science and Technology Research Centre for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China University of Chinese Academy of Sciences Beijing 100049China Dunea Water Company Plaza of the United Nations 11-15Zoetermeer 2700 ATthe Netherlands Sanitary engineering Department of Water managementFaculty of Civil Engineering and GeosciencesDelft University of TechnologyDelft 2600 GAthe Netherlands

Drinking water quality deteriorates from treatment plant to customer taps, especially in the plumbing system. There is no direct evidence about what the differences are contributed by plumbing system. This study compared the water quality in the water main and at customer tap by preparing a sampling tap on the water main. The biomass was quantified by adenosine triphosphate(ATP) and the microbial community was profiled by 454 *** results showed that in distribution pipes, biofilm contributed >94% of the total biomass,while loose deposits showed little contribution(< 2%) because of the low amount of loose deposits. The distribution of biological stable water had minor effects on the microbiocidal water quality regarding both quantity(ATP 1 ng/L vs. 1.7 ng/L) and community of the bacteria. Whereas the plumbing system has significant contribution to the increase of active biomass(1.7 ng/L vs. 2.9 ng/L) and the changes of bacterial community. The relative abundance of Sphingomonas spp. at tap(22%) was higher than that at water main(2%), while the relative abundance of Pseudomonas spp. in tap water(15%) was lower than that in the water from street water main(29%). Though only one location was prepared and studied, the present study showed that the protocol of making sampling tap on water main offered directly evidences about the impacts of plumbing system on tap water quality, which makes it possible to distinguish and study the processes in distribution system and plumbing system separately.

关键词： Drinking water distribution system Plumbing system Microbiological water quality Sampling program 454 pyrosequencing

Coal mine entry rating system:A case study

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International Journal of Mining Science and Technology 2021年第1期31卷 145-151页

作者： mark A.van Dyke Ted M.Klemetti Craig Compton National Institute for Occupational Safety and Health Pittsburgh Mining Research DivisionPittsburghPA 15236USA

Coal mines are continuously seeking to determine the performance of entries with different ground control products and installation *** are many factors that impact how an entry will perform which include but are not limited to geology,overburden,bolting type and pattern,and mine *** the National Institute for Occupational Safety and Health(NIOSH),research has been instituted to examine the relationship of the parts of a coal mine entry as a system and not as individual *** study this relationship,the first step in this study was to create a numeric rating system that accurately reflects visual observations of the mine entry and is easy to *** researchers devised this rating system to improve upon previous ideas,offering increased flexibility which can be incorporated into an overall entry condition that offers different levels of confidence based on the user’s time devoted to the *** new entry rating system was implemented at three different mines over varying periods of time to evaluate the ground response to the geology,bolt installation pattern,stress changes by mining,overburden,and time dependency.

关键词： Coal Geology Rating system Support

Global change and biological invasions

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Journal of Plant Ecology 2022年第3期15卷 425-428页

作者： Yu-Long Feng Daolin Du mark van Kleunen Liaoning Key Laboratory for Biological Invasions and Global Changes College of Bioscience and BiotechnologyShenyang Agricultural UniversityShenyang 110866China School of the Environment and Safety Engineering Jiangsu UniversityZhenjiang 212013China Department of Biology University of KonstanzKonstanzGermany Zhejiang Provincial Key Laboratory of Plant Evolutionary Ecology and Conservation Taizhou UniversityTaizhou 318000China

Invasion by exotic species is one of the serious socio-economic,environmental and ecological problems currently faced by *** invasions have changed the species composition,structure and function of ecosystems,and are seriously threatening global biodiversity,economy and human health(Iqbal et al.2021;Wang et al.2020;Yang et al.2021;Zhao et al.2020;Zheng et al.2015).Biological invasions have resulted in an economic loss of at least US$1.288 trillion over the past few decades worldwide(Diagne et al.2021).As a consequence of these far-reaching impacts,biological invasions have become a hot research topic in modern ecology,and attract major attention from international organizations,governments and scientists all over the world.

关键词： invasion consequence

Preliminary rib support requirements for solid coal ribs using a coal pillar rib rating(CPRR)

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International Journal of Mining Science and Technology 2021年第1期31卷 15-22页

作者： Khaled Mohamed mark van Dyke Gamal Rashed Morgan MSears Robert Kimutis National Institute for Occupational Safety and Health Pittsburgh Mining Research DivisionPittsburghPA 15236USA

Researchers from the National Institute for Occupational Safety and Health(NIOSH)are developing a coal pillar rib rating(CPRR)technique to measure the integrity of coal *** CPRR characterizes the rib composition and evaluates its impact on the inherent stability of the coal *** CPRR utilizes four parameters:rib homogeneity,bedding condition,face cleat orientation with respect to entry direction,and rib *** these parameters are measurable in the field.A rib data collecting procedure and a simple sheet to calculate the CPRR were *** developed CPRR can be used as a rib quality mapping tool in underground coal mines and to determine the potential of local rib instabilities and support requirements associated with overburden *** calculations were conducted for 22 surveyed solid coal ribs,mainly composed of coal *** on this study,the rib performance was classified into four categories.A preliminary minimum primary rib support density(PRSD)line was obtained from these surveyed *** sample cases are presented that illustrate the data collection form and CPRR calculations.

关键词： Coal rib stability Rib support design Coal pillar rib rating Rib quality mapping CPRR Coal classification

Evaluation of seismic potential in a longwall mine with massive sandstone roof under deep overburden

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International Journal of Mining Science and Technology 2018年第1期28卷 115-119页

作者： mark A.van Dyke Wen H.Su Joe Wickline Ground Control Branch NIOSHPittsburgh15236 PAUSA Coronado Coal LLC BeckleyWVUSA

A recent seismic event was recorded by a deep longwall mine in Virginia at 3.7 ML on the local magnitude scale and 3.4 MMS by the United States Geological Survey(USGS) in *** investigations by the National Institute for Occupational Safety and Health(NIOSH) and Coronado Coal researchers have shown that this event was associated with geological features that have also been associated with other, similar seismic events in *** mapping and geological exploration in the mining area has made it possible to forecast possible locations for future seismic *** order to use the geology as a forecaster of mining-induced seismic events and their energy potential, two primary components are *** first component is a long history of recorded seismic events with accurately plotted *** second component is a high density of geologic data within the mining *** this case, 181 events of 1.0 MLor greater were recorded by the mine's seismic network between January, 2009, and October, *** the mining area, 897 geophysical logs, 224 core holes, and 1031 fiberscope holes were examined by mine *** this information, it was found that overburden thickness, sandstone thickness, and sandstone quality contributed greatly to seismic *** the data was analyzed, a pattern became apparent indicating that the majority of seismic events occurred under specific *** forecast maps were created based on geology of previous seismic *** forecast maps have shown an accuracy of within 74%–89% when compared to the recorded 181 events that were1.0 MLor greater when considering three major geological criteria of overburden thickness of 579.12 m or greater, 6.096–12.192 m of sandstone within 15.24 m of the Pocahontas number 3 seam, and a longwall caving height of 4.572 m or less.

关键词： Seismic Mapping Deep overburden Massive sandstone

Deep cover bleeder entry performance and support loading: A case study

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International Journal of Mining Science and Technology 2018年第1期28卷 85-93页

作者： Ted M.Klemetti mark Alexander van Dyke Ihsan Berk Tulu Ground Control Branch NIOSHPittsburgh Mining Research Division Mining Engineering Department West Virginia University

Several questions have emerged in relation to deep cover bleeder entry performance and support loading:how well do current modeling procedures calculate the rear abutment extent and loading? Does an improved understanding of the rear abutment extent warrant a change in standing support in bleeder entries? To help answer these questions and to determine the current utilization of standing support in bleeder entries, four bleeder entries at varying distances from the startup room were instrumented,observed, and numerically *** paper details observations made by NIOSH researchers in the bleeder entries of a deep cover longwall panel—specifically data collected from instrumented pumpable cribs, observations of the conditions of the entries, and numerical modeling of the bleeder entries during longwall *** primary focus was on the extent and magnitude of the abutment loading experienced by the standing *** expected, the instrumentation of the standing supports showed very little loading relative to the capacity of the standing supports—less than 23 Mg load and 2.54 cm *** Flac3D program was used to evaluate these four bleeder entries using previously defined modeling and input parameter estimation *** results indicated only a minor increase in load during the extraction of the longwall *** model showed a much greater increase in stress due to the development of the gateroad and bleeder entries, with about 80% of the increase associated with development and 20% with longwall *** Flac3D model showed very good correlation between expected gateroad loading during panel extraction and that expected based on previous *** results of this study showed that the rear abutment stress experienced by this bleeder entry design was *** farther away from the startup room, the lower the applied load and smaller the convergence in the entry if all else is held ***, the numerical modeling method

关键词： Bleeder entry Standing supports Abutment loading Longwall mining Full extraction