Study Of Size Effects Research Articles

Theoretical study of size and shell composition effect of TiO2 core-shell mesoporous microsphere on UV absorption effectivity for photocatalytic application

Microdispersed photocatalysts based on titanium dioxide (TiO2) in the form of hollow core-shell microspheres (microcapsules) with mesoporous structure are widely demanded in modern critical technologies related to the catalysis of various chemicals, solving environmental problems, and obtaining cheap fuel. To date, a number of experimental works are known, showing that geometrical parameters of microcapsules (size, shell thickness), as well as microstructural composition (nanosized metal additives, additional inner dielectric core- the "yolk") noticeably affect their photocatalytic activity. At the same time, a valuable physical description of the optical properties of porous microcapsules has not been presented in the literature so far. Using the finite element method, we perform a full-wave theoretical simulation of the optical field inside a hollow microsphere whose shell is randomly self-assembled from multiple TiO2 nanoparticles forming an irregular nanoporous structure. We provide a unified physical explanation of the published experimental data on the optical activity of titanium-dioxide microcapsules and show that the existing theoretical models do not always give a correct interpretation of the observed empirical behaviors.

Advanced modeling of higher-order kinematic hardening in strain gradient crystal plasticity based on discrete dislocation dynamics

An extensive study of size effects on the small-scale behavior of crystalline materials is carried out through discrete dislocation dynamics (DDD) simulations, intended to enrich strain gradient crystal plasticity (SGCP) theories. These simulations include cyclic shearing and tension-compression tests on two-dimensional (2D) constrained crystalline plates, with single- and double-slip systems. The results show significant material strengthening and pronounced kinematic hardening effects. DDD modeling allows for a detailed examination of the physical origin of the strengthening. The stress–strain responses show a two-stage behavior, starting with a micro-plasticity regime with a steep hardening slope leading to strengthening, and followed by a well-established hardening stage. The scaling exponent between the apparent (higher-order) yield stress and the geometrical size h varies depending on the test type. Scaling relationships of h−0.2 and h−0.3 are obtained for respectively constrained shearing and constrained tension-compression, aligning with some experimental observations. Notably, the DDD simulations reveal the occurrence of the uncommon type III (KIII) kinematic hardening of Asaro in both single- and double-slip cases, emphasizing the relevance of this hardening type in the realm of small-scale plasticity. Inspired by insights from DDD, two advanced SGCP models incorporating alternative descriptions of higher-order kinematic hardening mechanisms are proposed. The first model uses a Prager-type higher-order kinematic hardening formulation, and the second employs a Chaboche-type (multi-kinematic) formulation. Comparison of these models with DDD simulation results underscores their ability to effectively capture the observed strengthening and hardening effects. The multi-kinematic model, through the use of quadratic and non-quadratic higher-order potentials, shows a notably better qualitative congruence with DDD findings. This represents a significant step towards accurate modeling of small-scale material behaviors. However, it is noted that the proposed models still have limitations, especially in matching the DDD scaling exponents, with both models producing h−1 scaling relationships (i.e., Orowan relationship for precipitate size effects). This indicates the need for further improvements in gradient-enhanced theories in order to guarantee their suitability for practical engineering applications.

Study of dot size effect on electron emission from Si-QDs multiple-stacked structures

We have fabricated diodes with different sized Si quantum dots (QDs) by precisely controlled low-pressure chemical vapor deposition using a pure SiH4 gas and studied the effect of dot size on field electron emission properties of their multiple‒stacked structures. At an applied bias of ∼9 V, the emission current of ∼4.0 nm height dot‒stacks is two orders of magnitude higher than that of ∼5.9 nm height dot‒stacks. These results can be interpreted in terms of an increase in the number of electrons with higher kinetic energy due to the increase in discrete energy levels associated with the reduction in the dot size, which suppresses electron scattering within the dot, and the electric field concentration resulting from the decrease in the curvature of the dot.

A micromagnetic study of sample size effects on dynamic hysteresis properties and dynamic phase transitions of Fe and $$Fe_3O_4$$ nanodisks

A micromagnetic study of sample size effects on dynamic hysteresis properties and dynamic phase transitions of Fe and $$Fe_3O_4$$ nanodisks

Progressive failure analysis of laminar composites under compression using smeared crack-band damage model and full layerwise theory

This paper presents an original finite element (FE) model that integrates the smeared crack band (SCB) approach and full layerwise plate theory (FLWT). The model enhances the computational efficiency of progressive failure analysis (PFA) of laminar composites in compression, by utilizing the layerwise approach which reduces a 3D model to a 2D one. The model distributes damage throughout the FE domain, with fracture mechanisms represented by material stiffness degradation controlled by damage variables (based on equivalent strains specifically defined for each failure mode). Mesh dependency issues are addressed by scaling fracture energy using a characteristic element length, and failure initiation and modes are determined using the 3D Hashin failure criterion.Accurately describing lamina response in fiber direction under compression requires linear-brittle softening with a stress plateau. The study showed that a model considering 30 % of residual stress accurately predicts maximum stress regardless of mesh refinement, demonstrating results’ minor dependence from the selected element size.The model accuracy has been confirmed by comparing the obtained results against experimental and benchmark data from the literature. The size effect study demonstrated a decrease in maximum stress of the open-hole laminates in compression with increasing specimen in-plane size. This trend is consistent with experimental and reference numerical observations, confirming the model accuracy and applicability even for relatively coarse meshes. Therefore, computational efficiency is improved, with preserved accuracy of conventional solid finite element models.

Scale and suction effects on compressibility and time-dependent deformation of mine waste rock material

Designing high mine waste rock piles for long-term behavior requires material mechanical characterization over a large range of stresses and variable environmental conditions. However, representative coarse samples cannot be handled by standard testing devices and the common approach is to test small-scaled samples at the laboratory, which might be affected by particle size effects when compared to the field material. Several reported results indicate that coarser samples present higher amount of particle crushing than small-scaled samples, thus lower dilatancy and higher compressibility. However, specific studies of size effects on time-dependent deformation are lacking. The aim of this paper is to identify the effects of particle size and suction on stress-deformation mechanism of partially saturated mine waste rock. Oedometric compression tests on two parallel graded samples are presented: the gravelly fraction (dmax=50 mm) and the sandy fraction (dmax=2.36 mm). Each stress increment triggers « instantaneous » and delayed strains. The results reveal the combined effects of particle size and humidity on the mechanical behavior. Coarser samples exhibit higher total compressibility and creep deformation, which also increases with the material humidity. The results give empirical support for the development of scaling laws and suggest that total deformation can be decoupled considering a suction dependent index for creep deformation.

Compression test and size effect study of defective wood

ABSTRACT Wood, as a natural material, inevitably contains initial defects such as knots, cracks, and decay, which are important factors affecting its mechanical properties and cannot be ignored. In order to investigate the influence of initial defects on the compressive mechanical properties of wood, Norway spruce was selected as the research object. Wood specimens without and with initial defects were prepared, and uniaxial compression tests were conducted. Combined with Digital Image Correlation (DIC) and finite element analysis, the compressive mechanical properties of defective wood were studied. The results showed that compared to defect-free specimens, specimens with defects exhibited a shortened elastic stage in the load-displacement curve, and the rate of decrease in load after reaching the peak was lower than that of defect-free specimens. For specimens of the same size, the compressive strength of specimens with defects was lower than that of defect-free specimens. The established finite element model could effectively simulate the compressive failure process of wood with initial defects, validating the effectiveness of numerical simulation. Bažant's size effect theory can be used for size effect analysis of the compressive strength of wood with initial defects in the longitudinal direction.

Study of Size Effect on Ni60Nb40 Amorphous Particles and Thin Films by Molecular Dynamic Simulations

Ni60Nb40 amorphous particles (APs) and amorphous thin films (ATFs) with various sizes were investigated by molecular dynamic simulations. It is revealed that sample size has effects on both Ni60Nb40 APs and ATFs composed of shell or surface and core components. Ni60Nb40 APs have an average bond length of 2.57 Å with major fivefold-symmetry atomic packing and low bond-orientation orders of Q6 and Q4 in both core and shell components. Ni atoms in Ni60Nb40 APs and ATFs prefer to segregate to the shell and surface regions, respectively. Atomic packing structure differences between various-sized Ni60Nb40 APs and ATFs affect their glass transition temperatures Tg, i.e., Tg decreases as the particle size or the film thickness decreases in Ni60Nb40 APs and ATFs, respectively. Our obtained results for Ni60Nb40 APs and ATFs clearly reveal a size effect on atomic packing and glass transition temperature in low-dimensional metallic glass systems.

Study of size effect of palladium atoms as single-atom and clusters nanoparticle catalysts for Heck reactions

We reported a series of nitrogen-doped carbon-supported palladium (Pd) species with various sizes for the Heck reaction of iodobenzene and methyl acrylate. By precisely controlling the synthesis procedure, we have successfully synthesized a range of Pd-based catalysts, including single Pd atom, sub-nanometer Pd clusters (∼ 0.4 nm, and ∼1.6 nm), and Pd nanoparticles (∼5.8 nm and 10 nm). Remarkably, these catalysts exhibit a distinct size-dependent catalytic activity in the Heck reaction. In the case of the Heck reaction of 4‑methoxy-iodobenzene and methyl acrylate, the Pd-10 site demonstrated the highest site-specific turnover frequency (TOF), reaching 792.5 h−1. This performance is impressively 5.2 and 15.6 times superior to that of the Pd1 site (152 h-1) and Pd-10 site (50.6 h-1), respectively. Significantly better in the Heck reactions with other aryl halides were achieved with Pd-1.6/N-C (comprising of approximately 1.6 nm-sized Pd clusters), compared to those containing 10 nm-sized nanoparticles (Pd-10/N-C) or Pd1/N-C. These findings suggested that Pd clusters of around 1.6 nm may serve as the potential catalytic sites for the Heck reaction.

Experimental and mesoscopic simulation study of size effect on splitting tensile performance of spontaneous combustion coal gangue concrete

The spontaneous-combustion coal gangue concrete (SCGAC) demonstrates different mechanical behavior compared to ordinary concrete owing to its distinct porous structure and the presence of fibrous materials in its coarse aggregates. Presently, research on the macroscopic mechanical properties of SCGAC is reasonably comprehensive; however, it falls short of fully understanding its size effect. This study examines the splitting tensile strength of cubic SCGAC specimens with three strength grades, i.e., C30, C35, and C40, and three sizes, i.e., 100 mm, 150 mm, and 200 mm; proposes a mesoscopic modeling approach based on the computer vision; analyzes the intrinsic mechanisms of splitting failure and the size effect of different strength grades on the SCGAC by utilizing mesoscopic simulation methods. Subsequently, an analysis of the size effect on the splitting tensile strength of SCGAC is conducted based on classical size effect laws. The results reveal the following: The method proposed in this study for mesoscopic modeling is recognized for its low cost, high efficiency, and accurate simulations, fulfilling the required standards for mesoscopic mechanical analysis. SCGAC, as a heterogeneous material, demonstrates significant size effect phenomena that become more pronounced with enhancements in strength grades. The Carpinter fractal size effect law is ideally suited to characterize the size effect patterns in SCGAC. This paper enhances the comprehension of the size effect of SCGAC through a combination of macroscopic experiments and mesoscopic simulations, thereby facilitating its engineering applications.

Atomistic study of inverse size effect induced by interfacial plasticity in pearlitic multi-principal element alloy

Atomistic study of inverse size effect induced by interfacial plasticity in pearlitic multi-principal element alloy

A probabilistic peridynamic framework with an application to the study of the statistical size effect

The high computational expense of peridynamic models remains a major limitation, hindering ‘outer-loop’ applications that require a large number of simulations, for example, uncertainty quantification. This contribution presents a framework that makes such computations feasible. By employing a Multilevel Monte Carlo framework, where the majority of simulations are performed using a coarse mesh, and performing relatively few simulations using a fine mesh, a significant reduction in computational cost can be realised, and statistics of structural failure can be estimated. The maximum observed speed-up factor is 16 when compared to a standard Monte Carlo estimator, thus enabling the efficient forward propagation of uncertain parameters in a computationally expensive peridynamic model. Furthermore, the multilevel method provides an estimate of both the discretisation error and sampling error, thereby improving confidence in numerical predictions. The performance of the approach is demonstrated through an examination of the statistical size effect in quasi-brittle materials.

Particle flow numerical study of size effect on uniaxial compressive strength of natural building stone

The fundamental influence of specimen size and micromechanical parameters on macroscopic structural behavior of natural building stone is investigated by particle flow numerical analysis. Laboratory tests of Dionysos marble cylindrical specimens under uniaxial compressive loading are simulated with a focus on the fracture development, failure mode and uniaxial compressive strength. Two series of simulations are performed with the PFC2D code, one to define the effects of different rates of deformation on the uniaxial compressive strength and fracturing of the specimens and the other to investigate the behavior of the specimens with the variation of five different parameters; platens velocity, specimen size, particle size distribution, standard deviation of randomized shear and normal strength as a micro-parameter and the ratio of shear to normal particle bonding strength. The specimen sizes also include rarely investigated smaller than NX dimensions. On selected specimens, the fracture development and the failure mode is depicted and discussed, and conclusions are drawn about the shear to tensile failure frequency and the crack patterns.

Toward large-scale fine resolution DEM landslide simulations: periodic granular box for efficient modeling of excavatable slope

Understanding landslide hazards and developing mitigation measures is critical to protecting lives and property. The Discrete Element Method (DEM) has demonstrated its ability to simulate landslides and estimate impact forces on mitigation structures. Such simulations often model slope surfaces as bedrock on which a fixed amount of earth mass is released and slides. Mass entrainment due to local failure of an excavatable slope surface is rarely modeled with sufficient resolution. Fine-resolution modeling of an excavatable slope for simulation is necessary and non-trivial to improve DEM simulations of large-scale landslides. In this study, we present a method based on Periodic Granular (PG) boxes for efficient modeling of excavatable slopes. A PG box is a packing of particles in a quasi-static state inside a virtual unit box, where the periodic boundary conditions are satisfied at the box surfaces. The procedures used to construct a PG box are presented. The quality of PG boxes is analyzed both at the particle contact scale and at the laboratory specimen scale by measuring contact orientation statistics and by performing numerical triaxial tests. As a demonstration, a centimeter resolution slope model constructed using the PG box-based method is presented using topographic data for the Aso Bridge landslide. In addition, landslide simulations to verify the excavation effect were performed on sub-meter resolution slope models. Our simulations show that landscape shape and particle size have a direct effect on the movement and deposition of earth masses. This highlights the need for detailed 3D terrain modeling and further study of particle size effects. By constructing the first excavatable DEM slope model with billions of centimeter-sized particles, this study can be considered a solid step toward fine-resolution DEM simulations of large-scale landslides, which can contribute to both scientific understanding and engineering countermeasures to mitigate the catastrophic consequences of large-scale landslides.

Experimental and analytical studies of size effects on compressive ductility response of Ultra-High-Performance Fiber-Reinforced concrete

Ultra-high-performance fiber-reinforced concrete (UHPFRC) has gained a great deal of increasing interest in structural engineering applications, particularly where high ductility, strength, and high impact resistance are of prime concern. This study focuses primarily on the size effects ductility characteristics of UHPFRC with varying fiber concentrations subjected to uniaxial compressive load. It shows how to process the data from compression cylinder tests to extract the size-dependent strain at peak stress to provide a generic size-dependent stress–strain analytical model. For a slenderness factor of 2, the predicted peak stress from the analytical model deviated 0.34%, 0.26%, and 10.5% from the experimental peak stress results for a fiber concentration of 1%, 2%, and 3%, respectively, indicating good estimate of the analytical model with the experimental results. Furthermore, a numerical flexural segmental moment-rotation approach is applied to incorporate an analytical model to quantify apparently disparate UHPFRC member strength and ductility. Tests have shown that it is not the enhancement in the material concrete compressive strength but the phenomenal brittle ductility nature, observed as a result of increasing the slenderness of the specimen; in contrast, a substantial increase in ductility was achieved after crushing of concrete due to the addition of fibers. A size-dependent analytical approach has estimated good fit with the experimental and other published results. Finally, numerical simulation using a segmental approach at the ultimate limit state of rotation dealing with flexural ductility is significantly influenced by the increase in slenderness factor of the specimens and fiber concentrations.This is evident as the rotation capacity decreased by 62% and 75% for a slenderness factor of 3 and 4, respectively, compared to the slenderness factor 2, when the fiber concentration was 1%. Furthermore, for 2% fiber concentration, the decrease was 54%, and 80%, and for 3% fiber concentration, the decrease was found to be 49%, and 79% for the slenderness factor of 3 and 4, respectively in comparison to the slenderness factor 2, suggesting both slenderness factor and fiber concentration have a significant impact on the flexural ductility.

Experimental and numerical study of frictional size effects in micro-metal forming

Experimental and numerical study of frictional size effects in micro-metal forming

Mesoscale modelling on the evolution of the fracture process zone in concrete using a unified phase-field approach: Size effect study

This paper presents a mesoscale phase-field fracture model formulation for simulating the fracture process of concrete at the mesoscale, focusing on studying size effects on the formation and evolution of the fracture process zone (FPZ). The proposed model is firstly verified and validated for concrete structures subjected to uniaxial tension tests. The model is further extended for modelling the formation and evolution of the FPZ in a concrete notched beam under three-point bending tests. Results demonstrate that the proposed model can not only capture the macro response in terms of the load–displacement curve but also can realistically depict the complex fracture process inside concrete under tension-dominated loading. The effects of specimen size on the evolution of the FPZ are also investigated with the proposed model. Based on the simulation results, it may be concluded that while the width of the FPZ is insensitive to the beam size and therefore can be considered to be a material constant, the length of the FPZ is generally strongly dependent on the specimen size. This characteristic of the FPZ in concrete has beneficial implications for understanding the overall size effect phenomenon.

Anelasticity to plasticity transition in a model two-dimensional amorphous solid

Anelasticity, as an intrinsic property of amorphous solids, plays a significant role in understanding their relaxation and deformation mechanism. However, due to the lack of long-range order in amorphous solids, the structural origin of anelasticity and its distinction from plasticity remain elusive. In this work, using frozen matrix method, we study the transition from anelasticity to plasticity in a two-dimensional model glass. Three distinct mechanical behaviors, namely, elasticity, anelasticity, and plasticity, are identified with control parameters in the amorphous solid. Through the study of finite size effects on these mechanical behaviors, it is revealed that anelasticity can be distinguished from plasticity. Anelasticity serves as an intrinsic bridge connecting the elasticity and plasticity of amorphous solids. Additionally, it is observed that anelastic events are localized, while plastic events are subextensive. The transition from anelasticity to plasticity is found to resemble the entanglement of long-range interactions between element excitations. This study sheds light on the fundamental nature of anelasticity as a key property of element excitations in amorphous solids.

Study of ageing and size effects in Nickel–Titanium shape memory alloy using molecular dynamics simulations

ABSTRACT The effect of ageing process at 1073.15 K on the athermal phase transformation in different nanograins (4.5, 6 and 9 nm) of Nickel–Titanium shape memory alloy is studied using molecular dynamics simulations. The martensitic transformation start temperature and transformed martensite volume decrease with decreasing grain size. The two-stage phase transformation with intermediate phase formation is observed only in the smallest grain (4.5 nm) where a single martensite variant is formed. On the contrary, larger grains show a self-accommodated twinned martensite variants with one-stage transformation from austenite to martensite. The ageing process hardly influences the morphology of the martensite phase, however, it rises the martensite start temperature and reduces the austenite start temperature. The nano grain size models demonstrate the constrained transformation due to the transformation barrier and the accumulation of internal stress, while the ageing process shows the tendency for stress relaxation.

A combined experimental and crystal plasticity study of grain size effects in magnesium alloys

This work presents a method to incorporate the micro Hall-Petch equation into the crystal plasticity finite element (CPFE) framework accounting for the microstructural features to understand the coupling between grain size, texture, and loading direction in magnesium alloys. The effect of grain size and texture is accounted for by modifying the slip resistances of individual basal and prismatic systems based on the micro Hall-Petch equation. The modification based on the micro Hall-Petch equation endows every slip system at each microstructural point with a slip system-level grain size and maximum compatibility factor, which are in turn used to modify the slip resistance. While the slip-system level grain size is a measure of the grain size, the maximum compatibility factor encodes the effect of the grain boundary on the slip system resistance modification and is computed based on the Luster-Morris factor. The model is calibrated using experimental stress-strain curves of Mg-4Al samples with three different grain sizes from which the Hall-Petch coefficients are extracted and compared with Hall-Petch coefficients predicted using original parameters from previous work. The predictability of the model is then evaluated for a Mg-4Al sample with different texture and three grain sizes subjected to loading in different directions. The calibrated parameters are then used for some parametric studies to investigate the variation of Hall-Petch slope for different degrees of simulated spread in basal texture, variation of Hall-Petch slope with loading direction relative to basal poles for a microstructure with strong basal texture, and variation of yield strength with change in grain morphology. The proposed approach to incorporate the micro Hall-Petch equation into the CPFE framework provides a foundation to quantitatively model more complicated scenarios of coupling between grain size, texture and loading direction in the plasticity of Mg alloys.