bluuebunny/crossref_metadata_2025 huggingface dataset:
OH radical in water from ab initio molecular dynamics simulation employing hybrid functionals
Authors: Apostolidou Christina
Published: August 2019

This work presents for the first time ab initio molecular dynamics simulations for the OH⋆-(H2O)n cluster with n = 0–5 and the OH radical in the bulk phase, using B3LYP as a functional. Furthermore, for OH⋆-w31, simulations with PBE0 and HSE03 are also investigated. In all systems, the OH radical is a stronger hydrogen bond donor than acceptor; a stronger hydrogen bond donor than water and a weaker hydrogen bond acceptor than water. Radial distribution functions (RDFs) reveal that for all systems, neither a hemibond between radical and water nor hydrogen abstraction is present. Comparisons with past simulations indicate that BLYP leads to artifacts, such as overstructuring of water in OH⋆-w31 and the hemibonded structure. In order to have strong hydrogen bonds with an extensive hydrogen bond network, at least four water molecules are necessary. RDFs as well as continuous dimer existence autocorrelation functions show that the OH radical is not disrupting the hydrogen bond network of water. In the bulk phase, the acceptor interaction is a very low probable interaction, whereas in the gas phase, it has a higher probability. The orientation of the water molecule around the OH radical is in the bulk liquid phase much less and in the gas phase enhanced, especially for the OH radical acting as a hydrogen bond donor toward one water molecule. PBE0 results for OH⋆-w31 in a strong hydrogen bond donor interaction compared to HSE03 and B3LYP, which has the weakest interaction. HSE03 leads to strong O–H interactions in OH⋆-w31, followed by PBE0 and B3LYP.
Sub-nanomolar detection of cesium with water-gated transistor
Authors: Alghamdi Nawal , Alqahtani Zahrah , Grell Martin
Published: August 2019

Cesium (Cs+) cations are rare in nature, but the β− active radioisotope 137Cs can be released from nuclear accidents and find its way into the water supply, where it is harmful to humans and animals who drink it. We here report a water-gated thin film transistor (WGTFT) that allows the detection of Cs+ in drinking water at very low concentrations. The transistor channel is formed from spray-pyrolyzed tin dioxide, SnO2, which gives WGTFTs with near-zero initial threshold. When the WGTFT is sensitized with a plasticized PVC membrane containing the Cs+-selective zeolite “mordenite,” it displays a threshold shift when exposed to drinking water samples carrying traces of Cs+. The response characteristic is given by the Langmuir adsorption isotherm instead of the Nikolsky-Eisenman law commonly found for ion-sensitive WGTFTs sensitized with organic ionophores. We find a complex stability constant K = (3.9 ± 0.4) × 109 l/mol and a limit of detection (LoD) of 33 pM. Our LoD is far lower than the Cs+ potability limit of 7.5 nM, which cannot be met by organic-sensitized membranes where the LoD is typically in the order of 100 nM or more.
Projected density matrix embedding theory with applications to the two-dimensional Hubbard model
Authors: Wu Xiaojie , Cui Zhi-Hao , Tong Yu , Lindsey Michael , Chan Garnet Kin-Lic , Lin Lin
Published: August 2019

Density matrix embedding theory (DMET) is a quantum embedding theory for strongly correlated systems. From a computational perspective, one bottleneck in DMET is the optimization of the correlation potential to achieve self-consistency, especially for heterogeneous systems of large size. We propose a new method, called projected DMET (p-DMET), which achieves self-consistency without needing to optimize the correlation potential. We demonstrate the performance of p-DMET on the two-dimensional Hubbard model.
Compound redistribution due to droplet evaporation on a thin polymeric film: Theory
Authors: van der Heijden Thijs W. G. , Darhuber Anton A. , van der Schoot Paul
Published: August 2019

A thin polymeric film in contact with a fluid body may leach low-molecular-weight compounds into the fluid. If this fluid is a small droplet, the compound concentration within the liquid increases due to continuous leaching in addition to the evaporation of the droplet. This may eventually lead to an inversion of the transport process and a redistribution of the compounds within the thin film. In order to gain an understanding of the compound redistribution, we apply a macroscopic model for the evaporation of a droplet and combine that with a diffusion model for the compound transport. In the model, material deposition and the resulting contact line pinning are associated with the precipitation of a fraction of the dissolved material. We find three power law regimes for the size of the deposit area as a function of the initial droplet size, dictated by the competition between evaporation, diffusion, and the initial compound concentrations in the droplet and the thin film. The strength of the contact line pinning determines the deposition profile of the precipitate, characterized by a pronounced edge and a linearly decaying profile toward the center of the stain. Our predictions for the concentration profile within the solid substrate resemble patterns found experimentally.
Analytical gradients for projection-based wavefunction-in-DFT embedding
Authors: Lee Sebastian J. R. , Ding Feizhi , Manby Frederick R. , Miller Thomas F.
Published: August 2019

Projection-based embedding provides a simple, robust, and accurate approach for describing a small part of a chemical system at the level of a correlated wavefunction (WF) method, while the remainder of the system is described at the level of density functional theory (DFT). Here, we present the derivation, implementation, and numerical demonstration of analytical nuclear gradients for projection-based wavefunction-in-density functional theory (WF-in-DFT) embedding. The gradients are formulated in the Lagrangian framework to enforce orthogonality, localization, and Brillouin constraints on the molecular orbitals. An important aspect of the gradient theory is that WF contributions to the total WF-in-DFT gradient can be simply evaluated using existing WF gradient implementations without modification. Another simplifying aspect is that Kohn-Sham (KS) DFT contributions to the projection-based embedding gradient do not require knowledge of the WF calculation beyond the relaxed WF density. Projection-based WF-in-DFT embedding gradients are thus easily generalized to any combination of WF and KS-DFT methods. We provide a numerical demonstration of the method for several applications, including a calculation of a minimum energy pathway for a hydride transfer in a cobalt-based molecular catalyst using the nudged-elastic-band method at the coupled-cluster single double-in-DFT level of theory, which reveals large differences from the transition state geometry predicted using DFT.
Coupled alkali halide color centers: Fractional charge errors, fractional spin errors, and a failure of spin symmetry breaking produce challenging tests for condensed-phase electronic structure calculations
Authors: Janesko Benjamin G.
Published: August 2019

Color centers (F-centers) consist of defect-trapped electrons confined and shielded by a surrounding ionic lattice. This work shows how adjacent color centers in lithium fluoride provide a suite of challenging tests for electronic structure calculations in condensed phases, mimicking theoretically well-studied but experimentally fleeting gas-phase model systems such as stretched H2+, stretched H2, and stretched H3+. Singlet-triplet gaps and electron transfer reactions among these centers exhibit delocalization (fractional charge), strong left-right correlation (fractional spin), and a density-driven failure of spin-symmetry-broken singlet calculations. Tests of representative density functional theory approximations show that new “non-zero-sum” approaches qualitatively improve agreement with correlated multireference benchmark values.
Correlation consistent basis sets designed for density functional theory: Second-row (Al-Ar)
Authors: Mahler Andrew , Determan John J. , Wilson Angela K.
Published: August 2019

The cc-pV(n+d)Z correlation consistent basis sets of double- through quintuple-ζ quality for the atoms Al-Ar have been modified for use with density functional theory (DFT). These basis set modifications include truncation of high-angular momentum basis functions, recontraction of the s- and p-functions, and reoptimization of basis function exponents with generalized gradient approximation and hybrid-DFT functionals. The effects of basis set truncation, recontraction, and reoptimization are shown to improve convergence behavior in atomic energies as well as dissociation energies and enthalpies of formation.
Development of a coarse-grain model for the description of the metal oxide-polymer interface from a bottom-up approach
Authors: Solano Canchaya José G. , Dequidt Alain , Garruchet Sebastien , Latour Benoit , Martzel Nicolas , Devémy Julien , Goujon Florent , Blaak Ronald , Schnell Benoit , Munch Etienne , Seeboth Nicolas , Malfreyt Patrice
Published: August 2019

We present a coarse-grained model for using dissipative particle dynamics simulations to study the interaction between cis-1,4 polybutadiene polymer chains and a metal oxide (Cu2O) surface at the mesoscopic scale. We employ a bottom-up approach in order to link the structural properties with their underlying molecular properties over a wide range of time and length scales. The parameterization of the model was realized using a recently developed Bayesian scheme that is based on trajectory matching of an atomistic description of the system. The model is used to investigate the local structure of polymers in a confined slab geometry by means of density profiles, radius of gyration, orientation with respect to the surface, and their adsorption.
Absolute ionization and dissociation cross sections of tetrahydrofuran: Fragmentation-ion production mechanisms
Authors: Wolff W. , Rudek B. , da Silva L. A. , Hilgers G. , Montenegro E. C. , Homem M. G. P.
Published: August 2019

We report an experimental and theoretical investigation on the absolute ionization and fragmentation cross sections of tetrahydrofuran (THF, C4H8O), a base molecule of the DNA-backbone. The measurements enabled the identification of 50 ionic species produced by 12 eV up to 2000 eV electron impact which allowed us to make a close inspection of the mechanisms of both the primary vacancy production and the postcollisional fragmentation pathways which lead to the fragment ions. The experimental cross sections of the ionic species were examined in the framework of the fragmentation matrix model to attribute from which molecular orbitals (MOs) the electron is removed and find out the relative contribution of up to 15 outer and inner valence MOs in the fragment-ion production. A comparison between measured and calculated dissociative cross sections relative to the molecular parent ion cross section allowed us to clearly identify the prevalence of the single or double ionization in the fragment-ion production. Due to these different production mechanisms, the relative proportion of some ejected fragment-ions strongly depends on the impact energy. The single ionization of the MOs leading to selected fragment ions was compared to those measured at a low electron-impact energy using a reaction microscope with good agreement between the two techniques. The formation of the dications C4HnO2+, excluding the molecular parent dication, is also presented.
Electron scattering from tin tetrachloride (SnCl4) molecules
Authors: Możejko Paweł , Stefanowska-Tur Sylwia , Ptasińska-Denga Elżbieta , Szmytkowski Czesław
Published: August 2019

Absolute grand-total cross section (TCS) for electron scattering from a tin tetrachloride, SnCl4, molecule was measured at electron-impact energies ranging from 0.6 to 300 eV, in the linear electron-transmission experiment. The measured TCS energy dependence shows two very pronounced enhancements peaking near 1.2 eV and around 9.5 eV, separated with a deep minimum centered close to 3 eV. The low energy structure is attributed to the formation of two short-living negative ion states. Additional weak structures in the TCS curve are also perceptible. We also calculated the integral elastic and ionization cross sections for SnCl4 up to 4 keV within the additivity rule approximation and the binary-encounter-Bethe approach, respectively. To examine the role of the central atom of tetrachloride target molecules in collisions with electrons, we compared the experimental TCS energy functions for XCl4 molecules (X = C, Si, Ge, Sn).
Distance-based protein folding powered by deep learning
Authors: Xu Jinbo
Published: August 2019

Direct coupling analysis (DCA) for protein folding has made very good progress, but it is not effective for proteins that lack many sequence homologs, even coupled with time-consuming conformation sampling with fragments. We show that we can accurately predict interresidue distance distribution of a protein by deep learning, even for proteins with ∼60 sequence homologs. Using only the geometric constraints given by the resulting distance matrix we may construct 3D models without involving extensive conformation sampling. Our method successfully folded 21 of the 37 CASP12 hard targets with a median family size of 58 effective sequence homologs within 4 h on a Linux computer of 20 central processing units. In contrast, DCA-predicted contacts cannot be used to fold any of these hard targets in the absence of extensive conformation sampling, and the best CASP12 group folded only 11 of them by integrating DCA-predicted contacts into fragment-based conformation sampling. Rigorous experimental validation in CASP13 shows that our distance-based folding server successfully folded 17 of 32 hard targets (with a median family size of 36 sequence homologs) and obtained 70% precision on the top L/5 long-range predicted contacts. The latest experimental validation in CAMEO shows that our server predicted correct folds for 2 membrane proteins while all of the other servers failed. These results demonstrate that it is now feasible to predict correct fold for many more proteins lack of similar structures in the Protein Data Bank even on a personal computer.
Controlling the material properties and rRNA processing function of the nucleolus using light
Authors: Zhu Lian , Richardson Tiffany M. , Wacheul Ludivine , Wei Ming-Tzo , Feric Marina , Whitney Gena , Lafontaine Denis L. J. , Brangwynne Clifford P.
Published: August 2019

Significance

The nucleolus is an organelle in the nucleus that plays a key role in the transcription and processing of ribosomal RNA (rRNA). While many studies have highlighted the viscoelastic material state of the nucleolus, how the material properties of the nucleolus affect its function in rRNA biogenesis is not understood. Here we use an optogenetic protein system to tune the material state of the nucleolus. Our experiments show that above a certain concentration of light-activated protein, the nucleoli gel into a tightly linked meshwork and are no longer able to fuse. These material property changes lead to changes in rRNA processing, providing insight into how rRNA flux and processing may be natively tuned through the material state of nucleolus.
Second harmonic generation detection of Ras conformational changes and discovery of a small molecule binder
Authors: Donohue Elizabeth , Khorsand Sina , Mercado Gabriel , Varney Kristen M. , Wilder Paul T. , Yu Wenbo , MacKerell Alexander D. , Alexander Patrick , Van Que N. , Moree Ben , Stephen Andrew G. , Weber David J. , Salafsky Joshua , McCormick Frank
Published: August 2019

Significance

KRas is the most frequently mutated oncogene in human cancer, and its critical role in tumorigenesis is well established. Historical challenges in targeting KRas have led to its characterization as an “undruggable” target, but recent advances in drug discovery approaches have revealed promising avenues toward the development of small molecule Ras inhibitors. This study describes the successful implementation of second harmonic generation (SHG) as a screening platform to identify a conformational modulator of KRas that binds to a single distinct pocket. This work demonstrates how SHG screening can be applied to both the discovery and characterization of ligands for a high-value oncogenic target.
Knowing in translation practice
Authors: Olohan Maeve
Published: August 2019

This paper addresses the relationship between practice and knowledge in translation. It employs practice theory to conceptualize ‘knowing-in-practice’, introducing a theoretical approach to translation studies that enables an analytical focus on the practice of translating, rather than on the cognitive processes of translators or the textual features of translations. Against this practice-theoretical backdrop, knowing is construed as an emergent phenomenon that is sited in translation practice. Drawing on an empirical analysis of translating in a research organization, the paper then illustrates how this situated and embodied knowing is materially and discursively mediated and transpires in translation practice. Through its interdisciplinary approach, this research offers new sociological perspectives on the human and material interdependencies constituting translation in the workplace.
When the Thief of Bagdad tried to steal the show
Authors: Mingant Nolwenn
Published: August 2019

Between 1946 and 1951, U.S. distributors began dubbing a small number of films in Arabic for the North African and Middle Eastern markets. This experiment seems to have been motivated by an economic interest to penetrate those foreign markets and also in response to rising nationalism. Two models of dubbed versions existed at the time: the colonially-imposed French versions and the economically-motivated Persian versions. Battling against the former, and taking inspiration from the latter, U.S. distributors found themselves facing insurmountable political difficulties and eventually abandoned the practice of dubbing in Arabic. This case study foregrounds dubbing as a specific distribution strategy and highlights the political dimensions of this practice.
Constructing youth identities in dubbed movies
Authors: Ciampi Debora
Published: August 2019

This study aims to make a contribution to the area of linguistic and cultural representation in audiovisual texts by contrastively analysing how scriptwriters and translators construct the image of American and Italian youth culture. The main focus of the investigation is the translation of potentially challenging topics such as teenage sexuality, drug consumption, and violence. The analysis is based on a small, self-compiled parallel corpus of American teen movies and their Italian dubbed versions pertaining to the genre of “teen queen movies”, which depict the school life of teenagers and the contrasting relationships among different cliques and gangs (Driscoll 2011: 57). The results of the analysis revealed a change in target cultural norms with respect to previous decades. Sensitive topics tend to be retained rather than mitigated, which indicates that licentious and unrestrained behaviours on screen are regarded as more desirable than in the past.
The articulation of ‘the people’ in the discourse of Podemos
Authors: Montesano Montessori Nicolina , Morales-López Esperanza
Published: August 2019

This chapter focuses on the construction of pueblo ‘people’ and patria ‘homeland’ in the Spanish discourse of Podemos and the party’s relation to la gente ‘the people’ between June 2016 and its second political conference, Vistalegre II (February 2017). The discursive analysis focuses on figures of speech, such as synecdoche and metaphors, followed by a narrative analysis. The data cover the General Secretary of the party, Pablo Iglesias and the head of the branch in Catalonia, Xavier Domènech. We then apply the explanatory logics developed within discourse theory (Glynos and Howarth 2007) to interpret the results of the analysis1 and we critically reflect on some observed ambiguities in the discourse of Podemos.
Building left-wing populism in Denmark
Authors: García Agustín Óscar
Published: August 2019

In the Danish context, populism is usually associated with the radical right-wing. However, the left-wing Red-Green Alliance (the RGA), which defines itself as socialist, has carried out a populist turn coinciding with a remarkable electoral growth from 2.2% in 2007 to 7.8% in 2015. I argue that the RGA presents a hybrid form of left-wing populism in which socialist and populist articulations converge. The discourse is socialist since equality (or struggle against inequality) is the main value; the materialist approach is dominant; and there are plenty of references to class, working-class and class struggles. It is populist in the sense that inequality is portrayed as a conflict against the elite; and there is an attempt to constitute a new collective subject named “community”. Moreover, the RGA’s opposition towards the EU connects with the populist resistance to global neoliberalism and the defense of national sovereignty.
Standing up for ‘real people’
Authors: Bennett Samuel
Published: August 2019

Right wing populism has always been exclusionary in nature and relies on classic positive in-group/negative out-group constructions (van Dijk 1998). This chapter investigates how the UK Independence Party (UKIP) discursively constructed ‘the people’ during the 2016 ‘Brexit’ referendum campaign. It will be argued that ‘the people’ were defined in opposition to two key groups: Elite mainstream political actors and migrants. The consequence of this strategy has been the legitimisation of race hate crimes and a further conceptual separation of ‘the people’ from the political classes. Data is taken from the UKIP twitter account and I qualitatively analyse this by paying particular attention to topoi and to the discursive construction of ‘the people’ as a social actor.
The goose vowel in South African English with special reference to Coloured communities in 5
cities
Authors: Mesthrie Rajend , Wills Simone
Published: August 2019

This paper adds to the South African and international literature on the fronting of /u:/ in present day
English. It investigates the extent to which varieties of South African English spoken by “Coloured” people
participate in GOOSE fronting, which has been noted as a notable characteristic of the variety spoken by “Whites”
(Lass 1995). At the same time it investigates whether there are any
regional and social differences within South Africa’s Coloured communities in the cities of Cape Town, Kimberley, Port
Elizabeth, Johannesburg and Durban. An acoustic analysis of the norms of 10 speakers per city showed that structural
environment was the best predictor of goose fronting, in line with international findings. There were no
consistent patterns for the regional variable of “city” or the social variables of gender and class. Overall
Coloured communities show relatively lower degrees of fronting compared to the White norms.
Age hardening studies of a Cu–4Ti–Cr–Fe alloy
Authors: Wei Huan , Dai Xinyu , Han Pengju , Zhou Caizhi , Wei Yinghui , Hou Lifeng
Published: August 2019

The microstructure, mechanical properties, and electrical conductivity (EC) of Cu–4Ti–Cr–Fe alloy aged at 773 K in vacuum are studied in this work. The results show that the multiple trace alloying elements have little effect on the microstructure evolution during the aging treatment at 773 K. However, with prolonged aging, the hardness, yield strength, and tensile strength first increase, then decrease. The Cu–4Ti–Cr–Fe alloys show superior hardness and strength performance than other alloys. In both the solid-solution treated and aged cases, the EC decreases if multiple trace alloying elements are added to the Cu–4wt-%Ti alloys, which indicates the CuTi intermetallic compound may have a large negative influence on the EC of copper alloy.
Magneto-rheological dampers—model influence on the semi-active suspension performance
Authors: Tudon-Martinez Juan C , Hernandez-Alcantara Diana , Amezquita-Brooks Luis , Morales-Menendez Ruben , Lozoya-Santos Jorge de J , Aquines Osvaldo
Published: August 2019

Recently, automotive industry has adopted semi-active damper systems to improve handling and comfort properties of vehicles. Nowadays, Magneto-Rheological (MR) dampers are among the most effective solutions; with the control algorithm used for their operation being a key element. While basic controllers do not require mathematical damper models, improved performance can be achieved if these are available. Usually, the accuracy of a particular set of models can be assessed by evaluating standard quantitative metrics. However, two models with similar error-metrics can still have widely different qualitative properties. In this context, the main aim of this paper is to study the effects that may appear in the closed-loop performance of an automotive suspension system when the damper model is unable to represent crucial nonlinear MR phenomena. To highlight the model influence on the controller synthesis and subsequently on the suspension performance, two damper models with different accuracy levels were chosen: an Artificial Neural Networks (ANN)-based model is compared with the classical Bingham model. First, their accuracy is experimentally validated using typical error-metrics. Afterwards, the same suspension control strategy is designed using both models. Frequency-Estimation-Based control was selected because it better exploits available model data than other typical strategies such as sky-hook. The resulting performance is assessed with a software-in-the-loop approach using CarSim
® and complemented with a hardware-in-the-loop implementation using a CAN-bus, both closed-loop control cases use a Simulation-Oriented ANN model as benchmark to represent the MR damper nonlinearities. Results show that although the difference in error-metrics between models can be small using typical identification methods (e.g. 16% in one scenario), suspension performance in comfort and road-holding are significantly different. Error-metrics can be deceptive for assessing the effectiveness of MR damper models during the controller design phase. Accurate qualitative modeling in the pre/post-yield regions are the main factors which determine the resulting controller performance.
A Case Study of Thermal Environment in Urban Street Canyon in Hot and Humid Climate City based on Vehicle Effect
Authors: Li Qiong , Yu Xi , Nie Qi
Published: August 2019

Vehicle traffic is an important factor affecting the urban thermal environment, and most of them are mainly concentrated in urban street canyon. Through field measurement and numerical simulation, thermal environment of urban street canyon based on vehicle’s impact was studied in this paper. The research works are as follows: 1) The numerical simulation method for the thermal environment of urban street canyon considering the vehicle’ impact was established and verified by experimental results. Next, the impact of vehicles on the thermal environment in the urban street canyon was analysed. The simulation results showed that the air temperature in the street canyon increased gradually with the increase of vehicle exhaust heat. When vehicles heat generation rate increased 10W/m3, the 1.5m-height air temperature in the street canyon raised about 0.02 °C. With the increase of vehicle exhaust heat, its impact on the increase of air temperature in the garage area is weakened while that in the pedestrian area is improved. 2) The 1.5m-height air temperature rising effect in urban street canyon as a results of vehicle exhaust was found to be increased with the decrease of street canyon aspect ratio (height to width ratio) and the increase of length to height ratio. And the impact of length to height ratio is greater than that of aspect ratio. Then, the height to width and length to height ratios of street canyon should be designed in a reasonable range. And the reasonable distance from pedestrian area to road cars should be guaranteed to reduce the adverse effects of vehicle exhaust on pedestrian area.
How can CASBEE contribute as a sustainability assessment tool to achieve the SDGs?
Authors: Miyazaki G , Kawakubo S , Murakami S , Ikaga T
Published: August 2019

The purpose of this research was to understand the relationship between assessment items of the Comprehensive Assessment System for Built Environment Efficiency (CASBEE) and the UN’s Sustainable Development Goals (SDGs). The SDGs, the core of the 2030 Agenda for Sustainable Development, were adopted in 2015. In response, social demand for sustainable buildings, urban districts, and cities has grown. New assessment tools have been developed to quantitatively evaluate the sustainability of individual buildings, building clusters, urban districts, and cities worldwide. CASBEE was developed in Japan, with assessment items suited to each scale, from individual buildings to entire cities. These assessment items are expected to contribute to SDG 11 “Sustainable Cities and Communities” as well as the other 16 goals. However, the degree of correspondence between assessment items and SDGs remains unclear. Therefore, the relationships between CASBEE assessment items and SDGs were investigated to confirm their effectiveness as a tool for sustainable design. In this analysis, the number of corresponding goals increased as the scale became broader. At the scales of individual buildings and building clusters, many assessment items contributed indirectly to SDG 12 “Responsible Consumption and Production” while many assessment items contributed directly to SDG 11 in urban districts and cities.
“Waju” and Its Evolution with Urban Technology – Japanese sustainable community for disaster resilience
Authors: Ueda R
Published: August 2019

Global society is pursuing sustainable community and city which are integrated and resilient against great disaster. This paper insists that traditional wisdom cultivated in Japan here should be reappraised in such modern contest. “Waju”, or “circle and collaboration” is a traditional and vernacular culture in Aichi, Japan. In this field, autonomous sprit has developed for some hundred years, independent of government by Kyoto and Edo – giving birth to global automotive industry today. Historical citizens in Waju community have promoted autonomy for disaster prevention and local supply of infrastructure and logistics for adaptation to hazardous environment. In fact they have built circle river levee, shared water supply inside and private ships in case of flood. This autonomous Waju spirit is realized and sustained in an advanced industry island in Aichi, with modern context of business continuity planning. 100 companies here are now collaborating for not only tsunami evacuation, self-ambulance system, partnership with infrastructure companies but also for building new bridge and road for logistics. These days, Waju sees new evolution by advanced technology. Local government and automotive companies in Aichi are now discussing holistic strategy for sustaining global automotive industry. More than 100 people are acting on large hazard map using augmented reality in the same time. They are making a circle surrounding the map, inheriting Waju spirit. Japanese community here has been struggling with disaster and making precious cultures in complete history with adaptive evolution. Traditional spirit and advanced modern technology will create Wajus all over the world in the future.
Urban Retrofitting: A Progressive Framework to Model the Existing Building Stock
Authors: Khoja A , Stjelja D , Jämsén T , Essig N
Published: August 2019

Renovating the existing building stock is one of the key tools for reaching the EU 2020 and 2030 energy goals. The effectiveness of building retrofitting can be increased significantly through mass renovation of the building stock. However, the realization of such approach is very difficult due to complexity in the decision making process and lack of high-quality data needed for conducting a meaningful energy simulation. This paper presents a novel progressive building energy modelling framework coupled with BIM level of development to support the utilization of BIM and building energy simulation in retrofitting the existing stock. We use a pilot case study in Finland to apply and demonstrate this progressive framework. The developed framework provides the planners with a systematic and structured guidance for the creation of the BIM and the energy simulation model of the existing building stock in early and advanced design phases. The framework enables the users to predict the energy performance of the building stock with a fair accuracy. It also helps the design team to find and implement the most suitable retrofiring measures for it.
A systematic review of retrofitting tools for residential buildings
Authors: Gonzalez-Caceres A , Rabani M , Wegertseder Martínez P A
Published: August 2019

Retrofitting of existing buildings offers significant opportunities to reduce global energy use and greenhouse gas emissions. Therefore, it is considered as one of the main approaches to achieve sustainability in the built environment at a relatively low cost. Although there is a wide range of retrofitting technologies available, methods to identify the most cost-effective measures for each project remain a major technical challenge. Numerous projects have been developed worldwide to face this challenge with different approaches; however, many of the tools meet only local objectives, which is why they are unknown in the international arena, showing a limited transfer of knowledge. This review organizes the results under three categories: renovation assessment, financial assessment, and transfer of knowledge. The tools focusing on promoting the renovation of buildings differ in the type of user, for example, the owners, politicians, or investors. The tools dealing with financial assessment suggest different methods to evaluate and calculate the cost savings, construction costs, and return forecasts through retrofit interventions. Other tools comply with the policies that seek to register, evaluate, and characterize the existing buildings. This review provides researchers, construction professionals, and politicians with a better understanding of the advances made to effectively design building retrofitting measures and promote energy conservation as well as the assessment of the building stock for the development of policies. The review shows that many tools have the potential of joining their capabilities, which can create many opportunities for innovation in the retrofitting area.
Study on energy education method for elementary school students to internalize energy conservation behavior
Authors: Ikeyama Y , Sumiyoshi D , Choi Y , Tanoue S , Shimoji T
Published: August 2019

In Japanese elementary school, there are few descriptions about energy in current school curriculum guidelines, and there is not adequate education on the energy that is the basis of the country. Therefore, in this research, the aim is to develop energy conservation environmental education materials that can be incorporated as elementary school classes, in order to establish the attitude of conserving energy conscious awareness and practicing energy conservation behavior. In August of 2018, under the cooperation of local community halls, energy conservation education was conducted for elementary school students who were recruited. Eight participants were divided into two groups, energy education using homebrew textbooks, making models of houses, etc., and classes on energy through discussion and presentation. As a result of the verification, this material is suitable for senior students over 3rd grade and the degree of difficulty is appropriate, and there is a possibility that it may be effective for consciousness formation of energy conservation, but the result of the level being too high for first grader of elementary school.
Factors Influence Embodied Energy and Embodied Carbon Value at Design Phase of Low Middle Class Apartment in Indonesia
Authors: Reztrie Noveryna D. , Larasati Dewi
Published: August 2019

In 2015, it has been estimated that the housing backlog in Indonesia reaches 11.4 million units while the government has projected the decrease in 2019 as low as 6.8 million units. On the other hand, a massive development being implemented in Indonesia requires a high amount of material to be continuously provided in which those materials consume high amount of energy in their production. The Embodied Energy (EE) parameter can be used to measure the carbon emission being ejected during the material production process. The EE parameter can further be used in the development policy to anticipate the process since its planning until the later construction phase. This paper explains the factors influencing EE parameter value in the design phases for typical unit in lower-to-middle class apartments in Indonesia. Several properties on the material are measured including volume, types, and module. This research finds that embodied impacts on cement based material, ceramics and modular material choices are consistently the most significant, regardless of building design configuration. Certain mitigation needs to be conducted in the design phases to prevent any environmental damage caused by unrestricted usage of building materials such as by preventing or reducing waste material mainly in terms of the limited available space for waste disposal.
Rhodamine B Purity Certified Reference Material
Authors: Zhou Jinyan , Huang Yanjie , Xu Junbin , Chen Ling , Yin Qiang , Mao Yuanwen , Lin Keng , Zhou Yang , Hua Xiubin , Wang Shichao
Published: August 2019

In this paper, we report the scientific details of the preparation and certification of pure Rhodamine B certified reference materials, including qualitative analysis, quantitative analysis, homogeneity test, stability test and uncertainty evaluation. Raw material of Rhodamine B was recrystallized for preparation of candidate reference material. The purified was dried, then bottled in dark glass vials. Infrared spectroscopy and nuclear magnetic resonance were used to determine the chemical composition of Rhodamine B. Homogeneity and stability assessments were performed, and the material was homogeneous enough. The results obtained from the stability assessment indicated that the Rhodamine B was stable. A cooperative certification was conducted with eight qualified laboratories by mass balance method (including analysis of liquid chromatography with diode array detector, water content, ash content and residual solvents analysis). The certified value of the reference material for purity was found to be 99.0% with a relative expanded uncertainty of 1.0% (k=2), which made the candidate reference material a very useful calibrant in food and cosmetic analysis.
Field Tests on Permeability Enhancement Technology in Crushed and Soft Coal Seam
Authors: Huang Changguo , He Jiangfu , Zhao Zhiqiang
Published: August 2019

Coalbed methane is undergoing vast challenges in the exploration and production process, especially the degasification in low permeability of coal seams with the highest gas concentrations. Enhancing the permeability of soft coal seam should be emphasized. In present work, the field tests on presplitting and blasting technology with deep boreholes have been conducted, besides the permeability variations, including the gas extraction concentration and purity of low permeability coal seam, have been obtained by means of field experiments. Research results have shown that the permeability improved by presplitting and blasting with deep boreholes is 2.5 times higher than that of the original coal seam. Research results promote the prevention and control of coal-gas outburst in low permeability and high gas concentration coal seams.
Application of Intelligent Means and Advanced Production Technology in Coal Mine Production
Authors: Liu Na
Published: August 2019

This paper mainly analysises the leading production and management technologies of the international coal enterprises aiming to provide technical support for Chinese coal enterprises to enhance their core competitiveness. The results of the study show that modern monitoring system, simulated operation training and intelligent technologies are the key technologies to improve the coal production.
“Shock-Eye” - A Beidou-Based Earthquake Monitoring and Early Warning System
Authors: Pei HaoYang , Zhang PengFei , Pan LongMing , Zhang XiaoYang , Li HuiLing
Published: August 2019

China’s earthquake activity is high in frequency, high in intensity, shallow in source and wide in distribution. It is a country with severe earthquake disasters. Earthquake disasters have brought huge losses to people’s lives and property safety in China. Based on this situation, combined with Beidou’s high-precision positioning and two-way communication technology covering millimeter level, supplemented by remote sensing and GIS technology, this paper aims to establish a new Beidou system-based seismic monitoring and early warning system to monitor the crust of earthquake-prone areas. The micro-deformation and motion situation, through the data exchange processing, construct a statistical analysis model, effectively predict the earthquake condition in time, automatically issue an early warning to the estimated area before the earthquake arrives, gain valuable time for personnel and property transfer, and form a simulated earthquake. The post-disaster scene provides technical support for the emergency rescue command after the earthquake. We call it the “shock-eye” system. At the same time, the system can provide services for medium and long-term earthquake prediction through observation and processing of massive continuity data.
Preliminary Study on Water Resources Management in Tarim River Basin
Authors: Xiong YuFei , Xu HaiLiang , Zhang GuangPeng
Published: August 2019

It is indispensable to maintain ecological and environmental health and water resources. Uncontrolled exploitation and utilization of water resources in the Tarim River Basin has caused serious ecological problems in the mainstream. In order to ensure the stability of the ecological environment and reasonably allocate water resources, the water resources in the Tarim River Basin are Unified management, this article is based on the management of the water resources in the Tarim River and the case of foreign water resources, in-depth study of the management of water resources in the Tarim River, to provide an important basis for the rational use of water resources.
Current Status and Prospects of Application of Sound Barrier for High-Speed Railway in China
Authors: Wu Xiangyang , Chen Xing , Liu Lanhua , Lu Weishan
Published: August 2019

The sound barrier is the main measure of noise control of high-speed railway in China. This paper analyzes the application status and effect of high-speed railway sound barrier, clarifies the noise reduction effect and main influencing factors of various types of vertical sound barriers used and analyzes the problems existing in the application of vertical sound barrier to high-speed railway in China. The prospects of three aspects of vertical sound barrier optimization, new sound barrier and enhanced noise source control technology are proposed to promote the comprehensive control of high-speed railway noise. Research on high-speed railway noise control technology provides reference.
Comparative Study on Garbage Classification Influence Based on Analysis of Yangpu District of Shanghai
Authors: Guo Yujie , Gu Qing , Pan Wenting
Published: August 2019

As the amount of municipal garbage has grown rapidly, the hidden perils of environment have become increasingly outstanding and needed to be resolved. This paper selects Yangpu District of Shanghai as the research object, and quantify the positive influence of garbage classification and recycling. After the dry and wet garbage classification method in the source classification method is obtained, per ton of garbage can have positive impacts amounts to 256.97 Yuan. Although the concept is new and the prospect is broad, there are still many challenges in the current source classification. Therefore, this paper tries to put forward some suggestions for the garbage recycling and disposal of Shanghai based on the actual situation in China and other countries.
Analysis and Pollution Evaluation of Heavy Metal Content in Arsenic Rock, Sand and Compound Soil in Yulin Area, Shaanxi Province
Authors: Tong Wei , Wang Huanyuan
Published: August 2019

By using the Inductively Coupled Plasma-Mass Spectrometer (ICP-MS) for measuring heavy metal Cr, Ni, Cu, As, Cd, Hg, and Pb contents in sand mixed soils in the project area of arsenic rock and sand mixed-use soil in Yulin Area, Shaanxi Province, Single-factor pollution index method and Nemerow comprehensive pollution index method were used to evaluate the degree of soil contamination. The results showed that the average content of Cd in compound soil and arsenic rock were 0.27 times and 1.03 times higher than the national natural background value of soil environmental quality. The average content of other heavy metals in compound soil arsenic rock and sand was within the national natural background value of soil environmental quality. Compared with the arsenic rock, the contents of Cr, Ni, Cu, Zn, As, Cd, and Pb in the compound soil except Hg were decreased by 0.13 times, 0.41 times, 0.42 times, 0.49 times, 0.50 times, 0.38 times and 0.14 times respectively. Heavy metals were all less than 1 in individual pollution indexes of compound soil, arsenic rock, and sand. After 3 years of planting, the content of heavy metals such as Mn, Ni, Cd, Cr, Cu, Zn, As, and Pb in the compound soil was lower than the secondary standard of the soil environmental quality standard. The comprehensive pollution index of heavy metals was 0.109, belonging to the alert level, is still clean, are in line with the standard clean. The research shows that the mass ratio of heavy metals in the arsenic rock-sand compound soil conforms to the soil environmental quality standards for farmland and can ensure the quality of the soil environment and the safety of agricultural products.
Numerical Simulation of Dust Dispersion and Pollution in Breathing Zone of Fully Mechanized Mining Face
Authors: Cheng Weijia , Yang Xudong , Wang Xin , Chen Jun
Published: August 2019

In order to more accurately analyze the law of dust escape in the position of breathing zone of fully mechanized coal face, a geometric model of fully mechanized coal face is established in 1205 fully mechanized coal face of Xinan Coal Mine. The movement law of dust with the wind field in the fully mechanized coal face is simulated by FLUENT software, and the dust in the area of breathing zone at different positions is also simulated. The situation is analyzed in detail. The simulation results show that the overall movement law of air flow in the whole working face is from small to large and then to small. When the air flow passes through the area near the shearer, the local space becomes smaller, the wind speed increases and transverse movement occurs. The dust produced by the shearer cutter diffuses into the space of the shearer and its downwind side roadway accompanied by the air flow. A high concentration dust belt is formed in the area near the shearer. The dust contaminated area in front of the Hydraulic support and the space breathing belt of the sidewalk increases gradually with the prolongation of dust production time and covers the height of the whole breathing belt after 80 s of dust production.