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 Author:
 Mah, Adeline Huizhen; Laws, Travis; Li, Wei; Mei, Hao; Brown, Chance C.; Ievlev, Anton; Kumar, Rajeev; Verduzco, Rafael; Stein, Gila E.
 Source:
 Macromolecules 2019 v.52 no.4 pp. 15261535
 ISSN:
 15205835
 Subject:
 mathematical theory, etc ; additives; polystyrenes; thermodynamics; Show all 4 Subjects
 Abstract:
 ... We present a combined experimental and computational study of surface segregation in thin films of nearly athermal blends of linear and bottlebrush polymers. The lengths of bottlebrush backbone (Nb), bottlebrush side chain (Nₛc), and linear polystyrene host (Nₘ) are systematically varied to examine the effects of polymer architecture on phase behavior. From the experiments, combinations of archite ...
 DOI:
 10.1021/acs.macromol.8b02242

http://dx.doi.org/10.1021/acs.macromol.8b02242
 Author:
 Zhao, Mingtian; Li, Weihua
 Source:
 Macromolecules 2019 v.52 no.4 pp. 18321842
 ISSN:
 15205835
 Subject:
 mathematical theory, etc ; asymmetry; composite polymers; energy; Show all 4 Subjects
 Abstract:
 ... Formation of complex Frank–Kasper spherical phases from the selfassembly of block copolymers has attracted renewed interest. In this work, we have studied the emergence and stability of the Laves phases (C14 and C15), belonging to the class of Frank–Kasper phases, in the binary blend of AB₄ miktoarm star block copolymers and Ahomopolymer using selfconsistent field theory. Neat AB₄ copolymer wit ...
 DOI:
 10.1021/acs.macromol.8b02407

http://dx.doi.org/10.1021/acs.macromol.8b02407
 Author:
 O’Suilleabhain, Domhnall; VegaMayoral, Victor; Kelly, Adam G.; Harvey, Andrew; Coleman, Jonathan N.
 Source:
 ACS applied materials & interfaces 2019 v.11 no.8 pp. 85458555
 ISSN:
 19448252
 Subject:
 mathematical theory, etc ; graphene; nanoparticles; nanosheets; transistors; Show all 5 Subjects
 Abstract:
 ... Mixed networks of conducting and nonconducting nanoparticles show promise in a range of applications where fast charge transport is important. While the dependence of network conductivity on the loading level of conductive additive is well understood, little is known about the loading dependence of mobility and carrier density. This is particularly important as the addition of graphene might lead ...
 DOI:
 10.1021/acsami.8b21416

http://dx.doi.org/10.1021/acsami.8b21416
 Author:
 Subasinghege Don, Visal; David, Rolf; Du, Pu; Milet, Anne; Kumar, Revati
 Source:
 TheJournal of physical chemistry 2019 v.123 no.7 pp. 16361649
 ISSN:
 15205207
 Subject:
 mathematical theory, etc ; graphene oxide; molecular dynamics; Show all 3 Subjects
 Abstract:
 ... The graphene oxide (GO)–water interface was simulated using Born–Oppenheimer molecular dynamics (BOMD) simulations with two different functionals, namely, revPBED3 and BLYPD2, as well as a commonly used classical force field, namely, OPLSAA. A number of different order parameters, including the orientation of the interfacial water molecules near the aromatic region of the GO surface as well as ...
 DOI:
 10.1021/acs.jpcb.8b10987

http://dx.doi.org/10.1021/acs.jpcb.8b10987
 Author:
 Shetty, Shreya; Gomez, Enrique D.; Milner, Scott T.
 Source:
 Macromolecules 2019 v.52 no.2 pp. 528534
 ISSN:
 15205835
 Subject:
 mathematical theory, etc ; melting; molecular dynamics; polymers; temperature; Show all 5 Subjects
 Abstract:
 ... Classic experiments show that polybutadiene oligomers align in a network of stretched chains. Furthermore, the oligomers orient almost as strongly as the network, which suggests a large nematic coupling, despite polybutadiene being a flexible polymer. Here, we combine selfconsistent field theory (SCFT) and atomistic molecular dynamics (MD) simulations of polymer chains under tension to obtain the ...
 DOI:
 10.1021/acs.macromol.8b02209

http://dx.doi.org/10.1021/acs.macromol.8b02209
 Author:
 Mower, Ethan B.; Strain, Walt; Rice, Leonard; McCormick, Loralee
 Source:
 Journal of applied aquaculture 2018 v.30 no.1 pp. 9096
 ISSN:
 15450805
 Subject:
 mathematical theory, etc ; fish; protocols; Show all 3 Subjects
 Abstract:
 ... The most common way of counting fish is to use subsampling to determine the number of fish/lb. (weight count) and use weight measurements instead of counting individual fish. We compared differences in methods commonly used to determine weight counts. We found that none of the methods differed from each other and the mean weight counts remained close to the true weight count. Number of samples req ...
 DOI:
 10.1080/10454438.2017.1406421

http://dx.doi.org/10.1080/10454438.2017.1406421
 Author:
 Zhou, Yang; Huang, Kaijin; Zhou, Lingjun; Cheng, Xiaomin; Xu, Ming; Tong, Hao; Miao, Xiangshui
 Source:
 RSC advances 2019 v.9 no.17 pp. 94579461
 ISSN:
 20462069
 Subject:
 mathematical theory, etc ; bismuth; phase transition; thermal conductivity; thermal diffusivity; Show all 5 Subjects
 Abstract:
 ... The thermal conductivities of GeTe/Bi₂Te₃ superlatticelike materials are calculated based on density functional perturbation theory (DFPT) and measured using a 3ω method. The calculated results show that the lattice thermal conductivity or thermal diffusivity of GeTe/Bi₂Te₃ superlatticelike materials significantly decrease due to the effects of interfaces and Bi atoms in Bi₂Te₃. Our measured res ...
 DOI:
 10.1039/c9ra01485c

http://dx.doi.org/10.1039/c9ra01485c
 Author:
 Simiu, Emil; Potra, Florian A.; Nandi, Tarak N.
 Source:
 Boundarylayer meteorology 2019 v.170 no.2 pp. 349355
 ISSN:
 00068314
 Subject:
 mathematical theory, etc ; atmospheric sciences; friction velocity; mathematical models; turbulent flow; Show all 5 Subjects
 Abstract:
 ... We briefly assess approaches used to date for the estimation of the longitudinal integral turbulence scale [Formula: see text] in the nearneutral atmospheric surface layer, and propose an approach based on recent theory and measurements. A closedform expression is derived according to which [Formula: see text] is proportional to the height z above the surface. The factor of proportionality depen ...
 DOI:
 10.1007/s1054601804004

http://dx.doi.org/10.1007/s1054601804004
 Author:
 Nikolova, Valia; Cheshmedzhieva, Diana; Ilieva, Sonia; Galabov, Boris
 Source:
 Journal of organic chemistry 2019 v.84 no.4 pp. 19081915
 ISSN:
 15206904
 Subject:
 mathematical theory, etc ; benzene; carbon; chemical reactions; chemical structure; organic chemistry; Show all 6 Subjects
 Abstract:
 ... The performance of four frequently employed population analysis methods is assessed by comparisons with experimentally derived properties of monosubstituted benzene derivatives. The analysis is based on the expected dependence between site reactivities and electron densities at the respective ring carbon atoms. The correspondence between charges obtained from Mulliken, NPA, Hirshfeld, and QTAIM ap ...
 DOI:
 10.1021/acs.joc.8b02908

http://dx.doi.org/10.1021/acs.joc.8b02908
 Author:
 Hannon, Adam F.; Joseph Kline, R.; DeLongchamp, Dean
 Source:
 Journal of polymer science 2019 v.57 no.1 pp. 2939
 ISSN:
 08876266
 Subject:
 mathematical theory, etc ; composite polymers; computational methodology; models; polymerization; Show all 5 Subjects
 Abstract:
 ... A wormlike chain model for rod type blocks in a rod‐coil diblock copolymer is implemented in the self‐consistent field theory (SCFT) formalism. A pseudo‐spectral method is used to solve for the single‐chain partition function of this copolymer system. Orientation degrees of freedom are discretized using Lebedev sphere rules such that orientation integrations are carried out through a Lebedev quadr ...
 DOI:
 10.1002/polb.24745

http://dx.doi.org/10.1002/polb.24745
 Author:
 Frei, Sven; Azizian, Morvarid; Grant, Stanley B.; Zlotnik, Vitaly A.; Toundykov, Daniel
 Source:
 Environmental modelling & software 2019 v.111 pp. 375385
 ISSN:
 13648152
 Subject:
 mathematical theory, etc ; biogeochemical cycles; hyporheic zone; stream channels; topography; Show all 5 Subjects
 Abstract:
 ... Hyporheic flow and nutrient turnover in hyporheic systems are strongly influenced by instream bedforms. An accurate representation of topographical variations of the streamstreambed interface is therefore essential in analytical models in order to represent the couplings between hydrological and biogeochemical processes correctly. The classical Toth approach replaces the streambed surface topogr ...
 DOI:
 10.1016/j.envsoft.2018.09.015

https://dx.doi.org/10.1016/j.envsoft.2018.09.015
 Author:
 Yamaletdinov, R.D.; Romańczukiewicz, T.; Pershin, Y.V.
 Source:
 Carbon 2019 v.141 pp. 253257
 ISSN:
 00086223
 Subject:
 mathematical theory, etc ; graphene; molecular dynamics; simulation models; topology; Show all 5 Subjects
 Abstract:
 ... We introduce an idea of experimental verification of the counterintuitive negative radiation pressure effect in some classical field theories by means of buckled graphene. In this effect, a monochromatic plane wave interacting with topological solutions pulls these solutions towards the source of radiation. Using extensive molecular dynamics simulations, we investigate the traveling waveinduced m ...
 DOI:
 10.1016/j.carbon.2018.09.032

https://dx.doi.org/10.1016/j.carbon.2018.09.032
 Author:
 Omidi, S.; Davvaz, B.
 Source:
 Journal of Taibah University for Science 2017 v.11 no.6 pp. 10831094
 ISSN:
 16583655
 Subject:
 mathematical theory
 Abstract:
 ... In the present paper, we introduce the notion of khyperideals on ordered semihyperrings. Then, we investigate some fundamental properties of khyperideals of ordered semihyperrings. Indeed, we define (m, n)hyperideals and (m, n)bihyperideals in ordered semihyperrings and investigate some of their related properties. Moreover, we introduce and analyze the notion of prime (m, n)bihyperideal of ...
 DOI:
 10.1016/j.jtusci.2016.09.001

https://dx.doi.org/10.1016/j.jtusci.2016.09.001
 Author:
 Cottam, Ron; Ranson, Willy; Vounckx, Roger
 Source:
 Ecological complexity 2018 v.35 pp. 2527
 ISSN:
 1476945X
 Subject:
 mathematical theory, etc ; ecosystems; theoretical models; Show all 3 Subjects
 Abstract:
 ... We address the character and positioning of Rosennean complexity in hierarchical models of Nature. The best form of hierarchical representation of Natural systems is a model hierarchy, whose character we present. The complexity which appears between adjacent organizational levels in a model hierarchy performs the function of a locallyscaled ecosystem related to von Uexküll’s umwelts. We position ...
 DOI:
 10.1016/j.ecocom.2017.02.001

https://dx.doi.org/10.1016/j.ecocom.2017.02.001
 Author:
 Szypcio, Zenon
 Source:
 Annals of Warsaw University of Life Sciences, SGGW 2018 v.50 no.2 pp. 119128
 ISSN:
 20819617
 Subject:
 mathematical theory, etc ; gravel; shear stress; Show all 3 Subjects
 Abstract:
 ... The stress–plastic dilatancy relationships for gravel are analyzed based on drained triaxial tests experiments described in literature. For this, Frictional State Theory is used. The characteristic points and stages of shearing may be defined from the analysis of η–Dᵖ relationship. The characteristic points and stages of shearing cannot be identified from ordinary stress–strain, volumetric strain– ...
 DOI:
 10.2478/sggw20180010

http://dx.doi.org/10.2478/sggw20180010
 Author:
 Song, JunQing; Liu, YiXin; Zhang, HongDong
 Source:
 Macromolecules 2018 v.51 no.11 pp. 42014212
 ISSN:
 15205835
 Subject:
 mathematical theory, etc ; composite polymers; evaporation; Show all 3 Subjects
 Abstract:
 ... Understanding the defect removal process is crucial for fabricating defectfree selfassembled structures in block copolymer thin films. Most previous studies mainly focused on the removal of inplane dislocation and disclination defects, while outofplane defects receive less attention. In this study, the removal of two types of outofplane defects of lamellar forming block copolymer thin films ...
 DOI:
 10.1021/acs.macromol.8b00349

http://dx.doi.org/10.1021/acs.macromol.8b00349
 Author:
 Wang, Fu; Dai, Zelin; Gu, Yu; Cheng, Xiaomeng; Jiang, Yadong; Ouyang, Fangping; Xu, Jimmy; Xu, Xiangdong
 Source:
 RSC advances 2018 v.8 no.30 pp. 1699116996
 ISSN:
 20462069
 Subject:
 mathematical theory, etc ; nitroanilines; zinc oxide; Show all 3 Subjects
 Abstract:
 ... The piezoelectric and elastic properties of a molecular piezoelectric metanitroaniline (mNA) in its singlecrystal form were investigated in the framework of firstprinciples density functional perturbation theory (DFPT). Results support the recent experimental findings those despite being soft and flexible, mNA's piezoelectric coefficients are an order of magnitude greater than that of ZnO and L ...
 DOI:
 10.1039/c8ra01499j

http://dx.doi.org/10.1039/c8ra01499j
 Author:
 Kordas, Olga; Nikiforovich, Eugene
 Source:
 Energy 2019 v.175 pp. 2335
 ISSN:
 03605442
 Subject:
 mathematical theory, etc ; energy; heat pumps; heat transfer; models; soil; temperature; thermal conductivity; Show all 8 Subjects
 Abstract:
 ... This paper proposes a novel approach for studying the stationary energy characteristics of vertical geothermal systems (VGS) using stationary twodimensional phenomenological mathematical theory. The approach describes VGS as a single, strongly nonequilibrium thermodynamic system consisting of a soil, a borehole with secondary fluid and a ground source heat pump (GSHP). The model uses continuity c ...
 DOI:
 10.1016/j.energy.2019.03.030

http://dx.doi.org/10.1016/j.energy.2019.03.030
 Author:
 Hao, Yu; Xu, Yalin; Zhang, Jingjing; Hu, Xinlei; Huang, Junbing; Chang, ChunPing; Guo, Yaqi
 Source:
 Journal of cleaner production 2019 v.214 pp. 848859
 ISSN:
 09596526
 Subject:
 mathematical theory, etc ; afforestation; empirical models; environmental Kuznets curve; forest resources; forests; sustainable development; China; Show all 8 Subjects
 Abstract:
 ... Natural resources, especially forests, are critical to China's sustainable development. In recent years, effective utilization of forest resources has become a significant concern in China. In this study, on the basis of the environmental Kuznets curve (EKC) hypothesis, the relationship between forest resources and economic growth is examined using panel data from 30 provinces in China for the per ...
 DOI:
 10.1016/j.jclepro.2018.12.314

https://dx.doi.org/10.1016/j.jclepro.2018.12.314
 Author:
 Wang, H.J.; Xiao, T.; Li, X.Y.; Zhang, L.L.; Zhang, L.M.
 Source:
 Engineering geology 2019 v.251 pp. 7180
 ISSN:
 00137952
 Subject:
 mathematical theory, etc ; Monte Carlo method; case studies; landslides; models; soil properties; Show all 6 Subjects
 Abstract:
 ... A novel physicallybased method for updating landslide susceptibility is presented in this paper, considering both spatial and cross correlations. First, a Bayesian network relating landslide susceptibility to spatially and cross correlated soil parameters is constructed for susceptibility assessment. Then, the correlations among the grid cells and the prior probabilities of the Bayesian network a ...
 DOI:
 10.1016/j.enggeo.2019.02.004

https://dx.doi.org/10.1016/j.enggeo.2019.02.004