Complex Composite Materials Research Articles

Shape- and Material-Dependent Self-Propulsion of Photocatalytic Active Colloids, Interfacial Effects, and Dynamic Interparticle Interactions.

Active colloids powered by self-generated, local chemical concentration gradients exhibit dynamics that are a function of the particles' morphology and material properties. These characteristics also govern how the active colloids interact with surfaces, including other particles and nearby walls. Thus, by targeted design, the dynamic behavior, on average, can be engineered, despite a lack of "external" control such as an applied magnetic field. This allows for the development of new applications and the investigation of novel effects that arise when self-propelled active colloids have complex shapes and material composition. Here, we explore some of our recent work on this topic including the dynamics and interactions of photoactivated, self-propelled colloids with such multifaceted properties. We also delve into some special cases, such as a new variety of active particle-particle interaction that we recently developed, in which direct contact between the active colloids is forbidden, and the direction of propulsion for pairs of particles is correlated. The unifying theme of the work highlighted herein is the relationship between the physical, chemical, and material properties of active colloids and their motive behavior, the understanding of which opens up a wide range of new possibilities as we move toward the ultimate goal of realizing functional, man-made micro- and nanomachinery.

A Vine Copula-Based Hierarchical Framework for Multiscale Uncertainty Analysis

Abstract Uncertainty analysis is an effective methodology to acquire the variability of composite material properties. However, it is hard to apply hierarchical multiscale uncertainty analysis to the complex composite materials due to both quantification and propagation difficulties. In this paper, a novel hierarchical framework combined R-vine copula with sparse polynomial chaos expansions is proposed to handle multiscale uncertainty analysis problems. According to the strength of correlations, two different strategies are proposed to complete the uncertainty quantification and propagation. If the variables are weakly correlated or mutually independent, Rosenblatt transformation is used directly to transform non-normal distributions into the standard normal distributions. If the variables are strongly correlated, the multidimensional joint distribution is obtained by constructing R-vine copula, and Rosenblatt transformation is adopted to generalize independent standard variables. Then, the sparse polynomial chaos expansion is used to acquire the uncertainties of outputs with relatively few samples. The statistical moments of those variables that act as the inputs of next upscaling model can be gained analytically and easily by the polynomials. The analysis process of the proposed hierarchical framework is verified by the application of a 3D woven composite material system. Results show that the multidimensional correlations are modeled accurately by the R-vine copula functions, and thus uncertainty propagations with the transformed variables can be done to obtain the computational results with consideration of uncertainties accurately and efficiently.

Facile green synthesis of bioresorbable polyester from soybean oil and recycled plastic waste for osteochondral tissue regeneration

Despite the recent progress in the field of tissue engineering still there are great challenges to regenerate osteochondral tissue interface due to its complex material composition and mechanical properties. A series of biomaterials have been developed in the last few decades, still suitable biomaterial remained undiscover to regenerate osteochondral tissue interface. Here we have reported a new family of low cost biopolymer derived from edible soybean oil (SO) and recycled polyethylene terephthalate (PET) waste along with other renewable resources such as citric acid, sebacic acid and mannitol by facile catalyst and solvent free melt polycondensation process. The physicochemical properties of the synthesized polyester can be tailored by simply varying the monomer feed ratio. The polyesters were found to be elastomeric and biodegradable in nature. 3D porous scaffold shows in vitro mineralization which attributes that the polymer may be applicable for bone formation. 2D polyester film exhibited excellent cytocompatibility to the stem cell and interestingly the polyester guided the stem cell towards both osteogenic and chondrogenic differentiation without using any external differentiating chemicals. Thus this novel class of polyester derived from SO, recycled PET waste and other low cost renewable resources may be a potential candidate in field of interfacial tissue engineering for the treatment of arthritic patients in future.

Mechanisms of fault mirror formation and fault healing in carbonate rocks

The development of smooth, mirror-like surfaces provides insight into the mechanical behaviour of crustal faults during the seismic cycle. To determine the thermo-chemical mechanisms of fault mirror formation, we investigated carbonate fault systems in seismically active areas of central Greece. Using multi-scale electron microscopy combined with Raman and electron energy loss spectroscopy, we show that fault mirror surfaces do not always develop from nanogranular volumes. The microstructural observations indicate that decarbonation is the transformation process that leads to the formation of smooth surface coatings in the faults studied here. Piercement structures on top of the fault surfaces indicate calcite decarbonation, producing CO2 and lime (CaO). Lime subsequently reacts to portlandite (Ca(OH)2) under hydrous conditions. Nanoscale imaging and electron diffraction reveal a thin coating of a non-crystalline material sporadically mixed with nano-clay, forming a complex-composite material that smooths the slip surface. Spectroscopic analyses reveal that the thin coating is non-crystalline carbon. We suggest that ordering (hybridisation) of amorphous carbon led to the formation of partly-hybridised amorphous carbon but did not reach full graphitisation. Calcite nanograins, <50 nm in diameter, are spatially associated with the carbon and indicate that the decomposition products acted as a crystallisation medium. Within this medium, portlandite back-reacted with CO2 to form nanocrystalline calcite. Consequently, two types of calcite nanograins are present: nanograins formed by grain-size reduction (primary nanograins, >100 nm) and new nanograins formed by back-reaction (secondary nanograins, <50 nm). Hence, we suggest that the new, secondary nanograins are not the result of comminution during slip but originate from pseudomorphic replacement of calcite after portlandite. The continuous coverage of partly-hybridised amorphous carbon on all samples suggests that calcite decarbonation products may develop across the entire fault surface, controlling the formation of carbonate fault mirrors, and may facilitate slip on a decarbonation-product glide film.

Predicting thermal performance of a mass concrete foundation – A field monitoring case study

High-temperature differentials in a mass concrete structure pose great risks of temperature-induced stresses and cracking. Prior knowledge of temperature development within such a structure is essential. In this context, this paper presents a case study in which the construction of a mass concrete bridge foundation in Iowa, USA was investigated and a computer program, ConcreteWorks (CW), was used to predict its overall thermal performance with an aim to prevent thermal cracking. The properties of mass concrete mixes, required as CW inputs, were measured through isothermal and semi-adiabatic calorimetry tests. The temperature development profile, temperature differential, maturity, and compressive strength of the mixes were predicted and compared with those measured through the real-time monitoring of the bridge foundation. It was observed that CW predictions match well with their corresponding measured values. Three locations, core, top, and the face nearest to the core of the foundation, were found to be critical points for high temperature differentials. A sensitivity analysis, analyzing the effects of various mass concrete parameters, is also presented. The results provided clear insights into the temperature development of concrete with complex material compositions and environmental conditions. CW is a useful tool in developing thermal control plan for mass concrete projects.

Transient Response of Irregular Surface by Periodically Distributed Semi-Sine Shaped Valleys: Incident SH Waves

An advanced direct half-plane time-domain boundary element method (BEM) was applied to obtain the seismic response of a linear elastic irregular surface including periodically distributed semi-sine shaped valleys subjected to propagating obliquely incident plane SH waves. After developing the method for complex multiple surface topographies, some verification examples were solved and compared with those of the published works. Then, the transient response of a rough surface with 2–16 semi-sine shaped valleys was determined as synthetic seismograms. In this regard, the depth ratio of the valleys was sensitized. Finally, amplification patterns of the surface were presented in some cases. The results showed that the method was able to analyze the multipart models in the time-domain. Moreover, the response of the sinusoidal corrugated surfaces was very effective against seismic waves in forming different patterns. The method was recommended to researchers for transient analysis of complex engineering structures and composite materials in nanoscale.

Validation of a Novel, Shear Reynolds Number Based Bed Load Transport Calculation Method for Mixed Sediments against Field Measurements

In this study, the field measurement-based validation of a novel sediment transport calculation method is presented. River sections with complex bed topography and inhomogeneous bed material composition highlight the need for an improved sediment transport calculation method. The complexity of the morphodynamic features (spatially and temporally varied bed material) can result in the simultaneous appearance of the gravel and finer sand dominated sediment transport (e.g., parallel bed armoring and siltation) at different regions within a shorter river reach. For the improvement purpose of sediment transport calculation in such complex river beds, a novel sediment transport method was elaborated. The base concept of it was the combined use of two already existing empirical sediment transport models. The method was already validated against laboratory measurements. The major goal of this study was the verification of the novel method with a real river case study. The combining of the two sediment transport models was based on the implementation of a recently presented classification method of the locally dominant sediment transport nature (gravel or sand transport dominates). The results were compared with measured bed change maps. The verification clearly referred to the meaningful improvement in the sediment transport calculation by the novel manner in the case of spatially varying bed content.

Capabilities of Mean-Field Approaches for the Description of the Elasto-Plastic Behavior of Composite Materials

Composite materials offer potential avenues for tailoring materials with desired properties intended to innovative applications. To speed up this scheme, trial and error practice is evolving to a more rational and organized material design process. This trend depends on our ability to bridge the micro-scale to the system level. An important brick of this process is constituted of micromechanical models that bridge the gap between micro and macro scales in materials. Unfortunately, to forecast the behavior of complex composite materials microstructures, these models remain rudimentary, particularly for the nonlinear regime. Accordingly, our ambition is to highlight the limitations of existing micromechanical models and examine their respective capabilities to predict elastoplastic behavior of composite materials. The assessment reveals that in order to reduce the disparity between micromechanical models predictions and corresponding numerical or experimental results, new robust and efficient micromechanical models are needed. These models have to accurately describe different interactions in the composite and deal with multiphase and two-phase composites with high volume fractions under different loading paths.

The bismuth bulk annular band electrode — a new voltammetric sensor for Al(III) traces determination

This work presents for the first time an indirect, voltammetric determination of Al(III) traces as Al-Alizarin S complex, using the environmental friendly bismuth bulk annular band electrode (BiABE). These researches were aimed at replacing the typically used sensors, based on highly toxic mercury. The differential pulse stripping voltammetric measurements were realized in relatively simple electrolyte i.e. 0.075M ammonia buffer of restrictively controlled pH equal to 9.2. It was found, that the electrode process is irreversible and controlled by both, diffusion and adsorption phenomena. The calibration graph was linear from 4 to 40μgL−1 with sensitivity of 0.20μA/μgL−1, and repeatability below 2.1%. In the Al concentration range from 0.2 to 2μgL−1 sensitivity increased to 0.54μA/μgL−1 with limit of detection 0.015μgL−1 and repeatability below 3.1%. The optimal preconcentration time was 20s. It was also demonstrated that conditioning of the solid electrode surface leads to considerable improvement of analytical parameters. The proposed method accuracy was verified using two certified reference materials of complex composition, i.e. tea leaves and surface water, in which Al(III) was determined with recoveries 99.72% and 101.86%, respectively. Additionally, due to relatively low reduction potential equal to −790mV, this sensor offers wide application capabilities regarding quantitative determination of Al(III) traces.

Nitrogen‐Dopant‐Induced Organic–Inorganic Hybrid Perovskite Crystal Growth on Carbon Nanotubes

AbstractInterfacial engineering of organic–inorganic halide perovskites in conjunction with different functional materials is anticipated to offer novel heterojunction structures with unique functionalities. Unfortunately, complex material compositions and structures of the organic–inorganic hybrid materials make it difficult to tailor a desirable intermolecular interaction at the interface. Spontaneous and highly specific nucleation of perovskite crystals, that is, methylammonium lead iodide perovskite (CH3NH3PbI3, MAPbI3) at nitrogen‐doped carbon nanotube (NCNT) surfaces for the self‐assembly of MAPbI3/NCNT hybrids is reported. It is demonstrated that the lone‐pair electrons of pyridinic nitrogen‐dopant sites at NCNTs mediate specific interactions with the cationic component in the perovskite structure and serve as the nucleation sites via coordinate bonding formation, as supported by X‐ray photoelectron spectroscopy and density functional theory calculation. The potential suitability of MAPbI3/NCNT hybrids is presented for highly sensitive and selective NO2 sensing layer. This work suggests a reliable self‐assembly route to the molecular level hybridization of organic–inorganic halide perovskites by employing the substitutional dopant sites at graphene‐based nanomaterials.

Mechanochemically processed silver decorated ZnO-eugenol composite nanocrystallites and their dual bactericidal modes

The ZnO, ZnO-Eugenol complex (ZnO-EG) and Ag decorated ZnO-Eugenol complex composite (0.5, 1.0% Ag-ZnO-EG) materials were effectively prepared by mechanochemical process. The synthesized materials were fully characterized by TG-DTA, FTIR, XRD and SEM-EDS characterization techniques. The granular nanocrystallites of ZnO were found to be transformed into fine porous bricks like morphology in ZnO-EG complex and 0.5, 1.0% Ag-ZnO-EG composites. All the as synthesized materials were evaluated for their significant antibacterial activities in order to identify their MIC values and zone of inhibition studies against four different bacterial species viz. Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. The mode of bactericidal activity shown by highest active 1.0% Ag-ZnO-EG composite was investigated on the basis of SEM analysis of the treated cells. The dual mode of action of the studied material illustrated direct pore formation on the cell surface of Gram negative Escherichia coli species whereas in Gram positive Bacillus subtilis the agglomeration of the composite on bacterial surface was spotted. The Ag decoration in ZnO-EG complex was found to be crucial to exhibit significant bactericidal activity in Ag-ZnO-EG composites.

Study on Distribution of Magnetite (Fe3-xMnxO4) Filler in Fe3-xMnxO4-PEG/PVA/PVP Magnetic Hydrogel by Using Twolognormal Function Analysis

The trend of nanoparticles technology has been so advanced in several years; for instance, the bio-applications of polymer gel composites that involve micro/nanoparticles to be embedded in polymer gel have been many observed. This complex material composition can express a specific property and low toxicity so it can be used in various domain uses. Besides, the polymers material must possess certain properties to be utilized in the biomedical application (magnetic hyperthermia, cancer therapy, and food industry) such as flexible, biocompatibility, and water swallowability. Magnetite is nanoparticle with a unique property that can be utilized as a filler. The low toxicity of magnetite under the superparamagnetic condition is very useful in biomedical application. This research was succeeded to synthesize PVA/PVP polymer-based hydrogel magnetic with PEG-coated magnetite with Manganese doping filler, which has good biocompatibility and stable particle. An advanced characterization using XRD has shown the crystallite size about 9-11 nm with the magnetite phase confirmed from the sample. The SAXS analysis using two-lognormal functions exhibited primary and secondary particles around 2.40 and 9.74 nm that was well proven by TEM image analysis that showed a close value of the average particles size about 9.78 nm. From the SAXS and TEM analysis, it could be observed that the samples formed clusters from primary and secondary particles.

ПРИМЕНЕНИЕ СЕЙСМИЧЕСКИХ МЕТОДОВ ДЛЯ ОЦЕНКИ ПЕРСПЕКТИВ НЕФТЕГАЗОНОСНОСТИ ОТЛОЖЕНИЙ ПАЛЕОЗОЙСКОГО ФУНДАМЕНТА ЗАПАДНО-СИБИРСКОЙ ПЛИТЫ

Актуальность исследования обусловлена необходимостью увеличения сырьевого потенциала месторождений Западной Сибири, приуроченных к доюрским отложениям, с минимальными затратами на дополнительную разведку. Такая возможность связана с резким развитием технологий сейсмической разведки в последние годы. Современная сейсмическая 3D съёмка позволяет прослеживать характерные особенности геологического строения палеозойских отложений, которые было невозможно различить на профильных сейсмических разрезах 2D. Для получения наиболее объективных результатов целесообразно применение комплекса методов, включающих, помимо сейсморазведки, методы геофизических исследований скважин. Цель: выделить перспективные участки для освоения доюрского комплекса по данным сейсморазведки на примере одного из месторождений Томской области, приуроченных к палеозойскому фундаменту Западной Сибири. Объекты: отложения палеозойского фундамента юго-восточной части Западно-Сибирской плиты, характеризующиеся сложным вещественным составом горных пород, складчато-блоковым тектоническим строением, наличием естественной трещиноватости карбонатных коллекторов, порово-каверново-трещиным типом коллектора. Методы: специальный анализ сейсмических атрибутов; сейсмический фациальный анализ; комплексирование сейсмических методов и результатов интерпретации скважинных данных. Результаты. Выполнен анализ пространственного изменения сейсмических атрибутов, на основе которого выделены зоны повышенной трещиноватости и проведена оценка преобладающего направления систем трещин. Применение сейсмофациального анализа позволило выявить приуроченность участков повышенной плотности трещин к породам с улучшенными коллекторскими свойствами. Построенная схема перспектив нефтегазоносности палеозойских отложений на примере одного из месторождений Западной Сибири удовлетворительно согласуется с результатами геофизических исследований скважин и данными лабораторного изучения керна.

Fabrication of Metal Nanostructures with Programmable Length and Patterns Using a Modular DNA Platform.

Recently introduced DNA nanomolds allow the shape-controlled growth of metallic nanoparticles. Here we demonstrate that this approach can be used to fabricate longer linear metal nanostructures of controlled lengths and patterns. To this end, we establish a set of different interfaces that enable mold interactions with high affinity and specificity. These interfaces enable and control the modular assembly of mold monomers into larger mold superstructure with programmable dimension in which each mold monomer remains uniquely addressable. Preloading the molds with nanoparticle seeds subsequently allows the growth of linear gold nanostructures whose lengths are controlled by the DNA structure. Exploiting the addressability of individual mold monomers furthermore allows achievement of site-specific metallization, that is, to create defined metal patterns. We think that the introduced approach provides a useful basis to fabricate nanomaterials with complex shapes and material composition in a fully programmable and modular fashion.

An Omnidirectional Near-Field Comprehensive Damage Detection Method for Composite Structures

As one of the active structural health monitoring methods based on the Lamb wave, the ultrasonic phased-array damage detection method can provide information such as damage location and range more intuitively, which is why this method is a research hotspot in the field of Lamb wave-based damage monitoring. However, the ultrasonic phased-array damage detection method intended for the far field is not applicable to near-field damage monitoring. In addition, the traditional one-dimensional piezoelectric phased-array damage imaging method suffers from a blind area in the near field, and the data collection time of its angle scanning is relatively long. In view of these problems, this paper proposes an omnidirectional damage imaging monitoring method, combining the near-field sampling phased-array damage monitoring algorithm and the two-dimensional phased-array. The proposed method is verified by experiments using complex composite materials, and the results obtained show that the proposed omnidirectional near-field sampling phased-array damage imaging method is suitable for real-time damage detection in complex composite materials.

Experimental investigation of the stress-dependent permeability in the Longmaxi Formation shale

Understanding the stress sensitivity mechanism of the matrix permeability in shale is crucial for reservoir evaluation and gas production forecasting. However, the shale matrix has a heterogeneous pore structure and a complex material composition. Few investigations have been systematically performed on the stress sensitivity mechanism of the matrix permeability. In this study, multiple techniques, including total organic carbon (TOC) analysis, field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), high-pressure mercury intrusion (HPMI), low-pressure N2/CO2 adsorption (LP-N2/CO2GA) and overpressure permeability experiments, were applied to quantify shale the reservoir parameters, and we also developed a model to describe the stress-dependent permeability with pore structure and elastic mechanical parameters. Furthermore, we discuss in detail how the stress-dependent permeability properties depend on these shale reservoir parameters. The results show that the permeability is higher in samples tested parallel to the bedding (averages 4.49 × 10−2mD) compared to samples tested perpendicular to the bedding (averages 4.97 × 10−3mD). However, there is no significant difference in the stress sensitivity coefficient of permeability between vertical-to-bedding samples (SVBS averages 0.24) and parallel-to-bedding samples (SPBS averages 0.20). In addition, the TOC content shows a negative correlation with the stress sensitivity coefficient of permeability. Further investigation indicates that the banded organic matter has a higher degree of ductility than the bulk organic matter, which may increase the pore connectivity in a direction parallel to the bedding. Meanwhile, the stress sensitivity coefficient of permeability is positively correlated with the pore aspect ratio and the matrix elastic modulus. With the increase in organic matter content, the stress sensitivity coefficient of permeability decreases under the comprehensive action of a high content of quartz and an increase in the number of organic pores with a low aspect ratio.

Identification of peptides as alternative recycling tools via phage surface display – How biology supports Geosciences

The application of biological tools in Geosciences such as bacteria or microbial products that mobilize metallic components raises increasing interest in classical mining industries. Today, 10% of the total copper production in Chile originated from bioleaching operations (Gentina and Acevedo, 2016). However, the application of biological tools is limited due to poor specificity, complex material composition and heterogenous particle size. New studies focus on smaller biological components such as peptides with higher material specificity to mobilize and recycle materials of interest.End-of-life electronic products like smart phones or compact fluorescent lamps (CFL) contain a wide variety of precious elements in very low concentrations. Currently, no cost-efficient and environmentally friendly technology exists for the separation and recycling of the majority of high-tech industry supporting elements such as the rare earth element (REE) Lanthanum phosphate (LAP) from electronic scrap. The focus of this project was the identification of peptides with high specificity for the rare earth mineral LAP, a component of CFL, for future material recycling. By using a biological method called phage surface display and the random PVIII phage peptide library f88.4/Cys6, the phage-bound peptide TSTQCPSHIRACLKKR was identified and characterized as not only an efficient LAP binder, which is furthermore able to discriminate between LAP and other components of fluorescent lamps. The application of phage particles displaying the recombinant PVIII fused peptide TSTQCPSHIRACLKKR in recycling processes is not possible due to limited scale-up, critical public perception, low biological efficiency and fast mutation rates in phage particles. Future applications will be based on peptides that are stable under a variety of challenging conditions such as heat, varying pH or in the presence of toxic scrap components. The development of peptide-based separation tools represents a new way of recycling of electronic scrap.

Methodology of studying the mechanical properties of composite materials (reinforced concrete)

The mechanical properties of a complex composite material formed by steel and hardened concrete, are studied. A technique of operative quality control of new credible concrete and reinforcement, both in laboratory and field conditions is developed for determination of the strength and strain characteristics of materials, as well as cohesion forces determining their joint operation under load. The design of the mobile unit is presented. The unit provides a possibility of changing the direction of loading and testing the reinforced element of the given shape both for tension and compression. Moreover, the nomenclature of testing equipment and the number of molds for manufacturing concrete samples substantially decrease. Using the values of forcing resulting in concrete cracking when the joint work of concrete and reinforcement is disrupted the values of the inherent stresses and strains attributed to the concrete shrinkage are determined. An analytical relationship between the forces and deformations of the reinforced concrete sample with central reinforcement is derived for axial tension and compression, with allowance for strains and stresses in the reinforcement and concrete resulted from concrete shrinkage. The results of experimental studies are presented, including tension diagrams and diagrams of developing axial deformations with an increase in the load under the central loading of the reinforced elements. A methodology of accounting for stresses and deformations resulted from concrete shrinkage is developed. The applicability of the derived analytical relationships between stresses and deformations on the material diagrams to calculations of the reinforced concrete structures in the framework of the deformation model is estimated.

Concrete strength prediction using artificial neural network and genetic programming

Concrete is a highly complex composite construction material and modeling using computing tools to predict concrete strength is a difficult task. In this work an effort is made to predict compressive strength of concrete after 28 days of curing, using Artificial Neural Network (ANN) and Genetic programming (GP). The data for analysis mainly consists of mix design parameters of concrete, coefficient of soft sand and maximum size of aggregates as input parameters. ANN yields trained weights and biases as the final model which sometime may impediment in its application at operational level. GP on other hand yields an equation as its output making its plausible tool for operational use. Comparison of the prediction results displays the result the model accuracy of both ANN and GP as satisfactory, giving GP a working advantage owing to its output in an equation form. A knowledge extraction technique used with the weights and biases of ANN model to understand the most influencing parameters to predict the 28 day strength of concrete, promises to prove ANN as grey box rather than a black box. GP models, in form of explicit equations, show the influencing parameters with reference to the presence of the relevant parameters in the equations.

Numerical modelling of elastic modulus and diffusion coefficient of concrete as a three-phase composite material

Concrete is a complex three-phase composite material at a mesoscale, thus its overall elastic and diffusive properties strongly depend on that of each component. However, the effects of aggregate characteristics are little considered, especially the aggregate shape effect. In this study, a set of numerical methods is employed to evaluate the effects of aggregate characteristics on the elastic and diffusive properties of concrete. Firstly, a concrete representative volume element (RVE) is constructed using a pixel-based method by packing aggregates surrounding a soft interlayer as ITZ in a homogeneous mortar matrix. The different aggregate characteristics including morphology, fineness and type, are respectively considered. Subsequently, a set of the finite element-based and finite difference-based numerical method that is designed for the pixel-based concrete structure, is applied to predict the elastic modulus and the diffusion coefficient of concrete. The simulated results indicate that aggregate characteristics apart from aggregate type play a negligible role in the elastic modulus of concrete, while the effects of aggregate characteristics on the diffusion coefficient of concrete are pronounced. The aggregates with less regularity or coarser size can decrease the diffusion coefficient of concrete. Furthermore, the property of ITZ is another pronounced factor for the elastic and diffusive properties of concrete in addition to aggregate area fraction. The weaker ITZ can significantly decrease the stiffness and increase diffusivity of concrete. The modelling results are expected to guide the design of concrete materials from the perspective of aggregate characteristics.