Molecular Dynamics Simulation of Barnacle Cement

Barnacle cement is an underwater adhesive that is used for permanent settlement. Its main components are insoluble protein complexes that have not been fully studied. In present article, we chose two proteins of barnacle cement for study, 36-KD protein and Mrcp-100K protein. In order to investigate the characteristic of above two proteins, we introduced the method of molecular modeling. And the simulation package GROMACS was used to simulate the behavior of these proteins. In this article, before the simulations, we introduce some theories to predict the time scale for polymer relaxation. During the simulation, we mainly focus on two properties of these two proteins: structural stability and adhesive force to substrate. First, we simulate the structural stability of two proteins in water, and then the stability of 36-KD protein in seawater environment is investigated. We find that the stability varies in the different environments. Next, to study adhesive ability of two proteins, we simulate the process of peeling the two proteins from the substrate (graphite). Then, we analyze the main reasons of these results. We find that hydrogen bonds in proteins play an important role in the protein stability. In the process of the peeling, we use Lennard-Jones 12-6 potential to calculate the van der Waals interactions between proteins and substrate.

EQUIVALENT MODEL OF EXPANSION OF CEMENT MORTAR UNDER SULPHATE EROSION

The expansion property of cement mortar under the attack of sulfate ions is studied by experimental and theoretical methods. First, cement mortars are fabricated with the ratio of water to cement of 0.4, 0.6, and 0.8. Secondly, the expansion of specimen immerged in sulphate solution is measured at different times. Thirdly, a theoretical model of expansion of cement mortar under sulphate erosion is suggested by virtue of represent volume element method. In this model, the damage evolution due to the interaction between delayed ettringite and cement mortar is taken into account. Finally, the numerical calculation is performed. The numerical and experimental results indicate that the model perfectly describes the expansion of the cement mortar.

Variation of flexural strength of cement mortar attacked by sulfate ions

Under the environment of seawater, durability of concrete materials is one of the chief factors considered in the design of structures. The decrease of durability of structures is induced by the evolution of micro-damage due to the erosion of chlorine and sulfate ions, which is characterized by the reduction of modulus, strength, and toughness of the material. In this paper, the variation of the flexural strength of cement mortar under sulfate erosion is investigated. The results obtained in present work indicate that the erosion time, concentration of sulfate solution, and water-to-cement ratio will significantly affect the flexural strength. Crown Copyright (c) 2008 Published by Elsevier Ltd. All rights reserved.

Failure process analysis of cement under explosive loading with a generalized driven nonlinear threshold model

The microstructural heterogeneity and stress fluctuation play important roles in the failure process of brittle materials. In this paper, a generalized driven nonlinear threshold model with stress fluctuation is presented to study the effects of microstructural heterogeneity on continuum damage evolution. As an illustration, the failure process of cement material under explosive loading is analyzed using the model. The result agrees well with the experimental one, which proves the efficiency of the model.

Full retention schedule in FE

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Long-Term Evolution Of Delayed Ettringite And Gypsum In Portland Cement Mortars Under Sulfate Erosion

The magnitude evolution of ettringite and gypsum in hydrated Portland cement mortars due to sulfate attack was detected by X-ray powder diffraction. The influences of sulfate concentration and water-to-cement ratio on the evolution of ettringite and gypsum were investigated. Experimental results show that the magnitude of ettringite formation in sodium sulfate solution follows a three-stage process, namely, the 'penetration period', 'enhance period of strength', and 'macro-crack period'. The cracking of concrete materials is mainly attributed to the effect of ettringite. The gypsum formations occurred in two stages, the 'latent period' and the 'accelerated period'. The gypsum formation including ettringite formation was relative to the linear expansion of mortars to some extend. Both water-to-cement ratio and sulfate concentration play important roles in the evolution of ettringite and gypsum. (C) 2008 Elsevier Ltd. All rights reserved.

A simple method to simulate shrinkage-induced cracking in cement-based composites by lattice-type modeling

A new numerical procedure is proposed to investigate cracking behaviors induced by mismatch between the matrix phase and aggregates due to matrix shrinkage in cement-based composites. This kind of failure processes is simplified in this investigation as a purely spontaneous mechanical problem, therefore, one main difficulty during simulating the phenomenon lies that no explicit external load serves as the drive to propel development of this physical process. As a result, it is different from classical mechanical problems and seems hard to be solved by using directly the classical finite element method (FEM), a typical kind of "load -> medium -> response" procedures. As a solution, the actual mismatch deformation field is decomposed into two virtual fields, both of which can be obtained by the classical FEM. Then the actual response is obtained by adding together the two virtual displacement fields based on the principle of superposition. Then, critical elements are detected successively by the event-by-event technique. The micro-structure of composites is implemented by employing the generalized beam (GB) lattice model. Numerical examples are given to show the effectiveness of the method, and detailed discussions are conducted on influences of material properties.

Atomistic simulation studies of the cement paste components

230 p.

Experimental culture of algal balls (Cladophora sauteri). Retention of original shape [Translation from: Bull.Jap.Soc.Phycol. Vol. 10, (1), p. 23-27, 1962]

It was on July 1960 when 10 algal balls were acquired for exhibition at Suma Aquarium, Kobe. Permission to remove the specimens from the Lake Akan Reserve was given by the National Nature Reserve Committee. Algal balls, as a rule, lose their natural beauty when they are kept in an ordinary tank for a certain length of time. In an effort to retain the natural beauty it was decided to exhibit them in culture. This paper summarises the findings of this experiments with Cladophora sauteri. The author concludes that serious consideration has to be given as to the intensity of light, the sunlight, the water temperature and the nutrition for algal balls in culture in order to retain the natural beauty and shape.

Retenção em canais amplos de núcleos confeccionados por diferentes técnicas com pinos fibro resinosos

O propósito desse trabalho foi verificar a retenção de pinos fibro resinosos cimentados em canais radiculares alargados simulando raízes extensamente comprometidas, fabricados por duas técnicas usadas para diminuir sua desadaptação; comparando-as ao pino fixado somente com cimento. Foram utilizados vinte e quatro raízes de dentes humanos unirradiculares, padronizadas com 15.0 mm de comprimento e 5.0 0.3 mm de diâmetro. As raízes foram incluídas em resina acrílica e divididas em grupos de acordo com a técnica usada: grupo I - pino DC White Post no2 cimentado com sistema adesivo quimicamente ativado e com cimento resinoso dual; grupo II mesmo pino reanatomizado com resina composta para copiar a anatomia do canal radicular, cimentado da mesma forma; e grupo III mesmo pino associado a três pinos acessórios, cimentados do mesmo modo. O canal radicular teve seu diâmetro padronizado pela broca no2 para o pino DC em uma profundidade de 12.0 mm e alargado com uma broca tronco cônica em uma profundidade de 10.0 mm. As oito raízes de cada grupo foram seccionadas transversalmente em três discos de 3.0 mm, a partir da cervical para a execução de um ensaio de extrusão, descartando-se os últimos 2.0 mm, que serviram somente para centralizar o pino. Os valores de retenção foram registrados e tratados estatisticamente por ANOVA e pelo teste SNK (p<0.05). Diferenças significativas foram observadas entre três porções radiculares investigadas em todos os grupos, com os valores de retenção diminuindo da cervical para apical. A retenção na porção apical do grupo com pinos customizado com resina foi estatisticamente maior que na mesma região dos demais grupos. Nenhuma diferença foi encontrada entre o grupo com pinos acessórios e o grupo somente com pino e cimento nessa parte da raiz. Nenhuma diferença foi observada comparando as porções cervical e média dos diferentes grupos. Os tipos de falha após o teste de extrusão foram observados em microscópio eletrônico de varredura com aumento de 200, 600 e 1000 vezes. Elas ocorreram exclusivamente entre o pino e o cimento ou a resina composta. A camada de adesão (camada híbrida) foi mais facilmente observada nas porções cervical e média de todos os grupos. Isso sugere que a retenção nas porções apicais da raiz é predominantemente friccional. Uma vez que pinos acessórios somente alcançam até a porção média do canal radicular, a retenção do pino não é aumentada com essa técnica.