Comparative investigation on nanomechanical properties of hardened cement paste

Three types of nanomechanical methods including static nanoindentation, modulus mapping and peak-force quantitative nanomechanical mapping (QNM) were applied to investigate the quantitative nanomechanical properties of the same indent location in hardened cement paste. Compared to the nanoindentation, modulus mapping and peak-force QNM allow for evaluating local mechanical properties of a smaller area with higher resolution. Beside, the ranges of elastic modulus distribution measured by modulus mapping and peak-force QNM are relatively greater than that obtained from nanoindentation, which may be due to a result of the shaper probe and local confinement effect between multiple phases. Moreover, the average value of elastic modulus obtained using peak-force QNM were consistent with those obtained by modulus mapping, while the different in modulus probability distribution could be related to the different nanomechancial theories and contact forces. The probability distributions of elastic modulus measured using nanomechanical methods to provide a basis for the different types of phases existing in cement paste. Based on the observation with high spatial resolution, cement paste can be likely found as nanocalse granular material, in which different submicron scale or basic nanoscale grain units pack together. It indicates that the peak-force QNM can effectively provide an effective insight into the nanostructure characteristic and corresponding nanomechanical properties of cement paste.     

3D Printed Tubulanes as Lightweight Hypervelocity Impact Resistant Structures

Lightweight materials with high ballistic impact resistance and load‐bearing capabilities are regarded as a holy grail in materials design. Nature builds these complementary properties into materials using soft organic materials with optimized, complex geometries. Here, the compressive deformation and ballistic impact properties of three different 3D printed polymer structures, named tubulanes, are reported, which are the architectural analogues of cross‐linked carbon nanotubes. The results show that macroscopic tubulanes are remarkable high load‐bearing, hypervelocity impact‐resistant lightweight structures. They exhibit a lamellar deformation mechanism, arising from the tubulane ordered pore structure, manifested across multiple length scales from nano to macro dimensions. This approach of using complex geometries inspired by atomic and nanoscale models to generate macroscale printed structures allows innovative morphological engineering of materials with tunable mechanical responses.     

Docking of chiral molecules on twisted and helical nanotubes: nanomechanical control of catalysis

We theoretically demonstrate the possibility of dynamically controlling catalysis by nanomechanical means. This novel methodology is based on switching the configuration (activity) of catalysts docked on nanoscale surfaces that are reversibly deformed. We test the approach by molecular dynamics simulations of an organic chiral catalyst that is docked by van der Waals coupling on twisted carbon nanotubes. Our results show that its catalytic activity is sharply correlated with the direction and amount of the nanotube twist. We also observe a small selectivity in docking of chiral molecules on straight helical nanotubes.     

Effect of micro-randomness on macroscopic properties and fracture of laminates

Composite materials demonstrate a considerable extent of heterogeneity. A non-uniform spatial distribution of reinforcement results in variations of local properties of fibrous laminates. This non-uniformity not only affects effective properties of composite materials but is also a crucial factor in initiation and development of damage and fracture processes that are also spatially non-uniform. Such randomness in microstructure and in failure evolution is responsible for non-uniform distributions of stresses in composite specimens even under externally uniform loading, resulting, for instance, in a random distribution of matrix cracks in cross-ply laminates. The paper deals with statistical features of a distribution of carbon fibres in a transversal cross-sectional area in a unidirectional composite with epoxy matrix, based on various approaches used to quantify its microscopic randomness. A random character of the fibres’ distribution results in fluctuations of local elastic moduli in composites, the bounds of which depend on the characteristic length scale. A lattice model to study damage and fracture evolution in laminates, linking randomness of microstructure with macroscopic properties, is discussed. An example of simulations of matrix cracking in a carbon fibre/epoxy cross-ply laminate is given.     

In situ nanomechanical behaviour of coexisting insulating and metallic domains in VO<Subscript>2</Subscript> microbeams

Measuring the electrical and mechanical responses of coexisting phases at nanoscale provides a platform to engineer micro-/nanoscale pattern of metallic and insulating domains with control over properties to make novel devices. Here, we employ several in situ characterization techniques, namely Raman, optical imaging and electrical measurements, to identify the phase coexistence of metallic and insulating domains. Further, we performed site-specific in situ nanoindentation to address the spatial variation in nanomechanical properties in vanadium dioxide (VO₂) single-crystal microbeams in proximity to metal–insulator transition temperature. We also investigated load or contact depth dependence on elastic modulus at various temperatures to avoid the interference of indentation size effect on nanomechanical properties across the phase transition. The obtained results confirm the abrupt increase in elastic modulus (~17 GPa) and nanohardness (1 GPa) across the transition from monoclinic (insulator) to rutile (metal) phase.     

Nanostructure and molecular mechanics of spider dragline silk protein assemblies

Spider silk is a self-assembling biopolymer that outperforms most known materials in terms of its mechanical performance, despite its underlying weak chemical bonding based on H-bonds. While experimental studies have shown that the molecular structure of silk proteins has a direct influence on the stiffness, toughness and failure strength of silk, no molecular-level analysis of the nanostructure and associated mechanical properties of silk assemblies have been reported. Here, we report atomic-level structures of MaSp1 and MaSp2 proteins from the Nephila clavipes spider dragline silk sequence, obtained using replica exchange molecular dynamics, and subject these structures to mechanical loading for a detailed nanomechanical analysis. The structural analysis reveals that poly-alanine regions in silk predominantly form distinct and orderly beta-sheet crystal domains, while disorderly regions are formed by glycine-rich repeats that consist of 3₁-helix type structures and beta-turns. Our structural predictions are validated against experimental data based on dihedral angle pair calculations presented in Ramachandran plots, alpha-carbon atomic distances, as well as secondary structure content. Mechanical shearing simulations on selected structures illustrate that the nanoscale behaviour of silk protein assemblies is controlled by the distinctly different secondary structure content and hydrogen bonding in the crystalline and semi-amorphous regions. Both structural and mechanical characterization results show excellent agreement with available experimental evidence. Our findings set the stage for extensive atomistic investigations of silk, which may contribute towards an improved understanding of the source of the strength and toughness of this biological superfibre.     

Influence of different sources of microstructural heterogeneity on the degradation of asphalt mixtures

The response and degradation of the hot mix asphalt (HMA) materials used in pavement structures are affected by their inherent heterogeneity. The objective of this work is to study the impact of two different sources of HMA heterogeneity in the uncertainty of the mechanical moisture degradation of HMA. The first source of heterogeneity is the spatial variability of the properties of the bulk fine aggregate matrix (FAM) of the mixture, and the second is the location and shape of the coarse aggregate particles. The heterogeneity of the bulk FAM phase was modelled using a random field technique, while that of the coarse aggregates was accounted for by randomly generating realistic probable sets of aggregate particles. Thus, ‘computational replicates’ of HMA microstructures were generated and subjected to moisture diffusion and mechanical loading using a finite element approach. In the mechanical simulations, a non-linear viscoelastic moisture damage constitutive relationship based on continuum damage mechanics theory was selected to characterise the response of the bulk FAM phase. The results show that conducting computational simulations with realistic HMA microstructures that properly capture the heterogeneity of the material is useful to quantify the mean values and dispersion (i.e. uncertainty) associated with the response and degradation of the mixture. This information, which cannot be easily obtained in the field or in the laboratory due to the difficulty of acquiring a sufficient amount of data, is useful to conduct structural reliability analysis and to predict the life cycle behaviour of the material.     

Anisotropic nanocrystal heterostructures: Synthesis and lattice strain

Emerging multi-component hybrid nanocrystalline materials are prompting new approaches to engineering materials’ properties with nanoscale precision and providing complex systems with multiple functionalities. In particular, chemical synthesis of nanocrystal heterostructures where two or more distinct phases are brought together epitaxially in an anisotropic manner is providing novel materials with unique combinations of optical, electronic, magnetic, and chemical properties. However, in order to develop high quality materials with property combinations that can be precisely tailored, a better understanding of growth/formation mechanism(s) that will allow versatile and scalable synthetic approaches to be developed is necessary. Here, we review recent advances in anisotropic nanocrystal heterostructures with a special focus on how lattice strain arising from the heterointerfaces affects materials synthesis.     

Local failure behavior of a dissimilar metal interface region with mechanical heterogeneity

Failure analyses and assessments for dissimilar metal welded joints are usually conducted by simplified interface regions without considering actual mechanical heterogeneity and limited crack positions. In this work, the finite element simulations based on Gurson-Tvergaard-Needleman damage mechanics model are used to investigate local failure behavior of a dissimilar metal interface region with mechanical heterogeneity and a series of initial crack positions. The results show that the fracture resistance and crack growth paths of the cracks in different locations of the interface region are significantly affected by mechanical heterogeneity. The interactions of different local mechanical (strength and work hardening properties) mismatches and intrinsic toughness around cracks determine the distributions and evolution of plastic strain, stress triaxiality and damage ahead of crack tips, which cause larger variations in fracture resistance and crack growth paths. For accurate and reliable failure analyses and assessments for the cracks in dissimilar metal interface regions with mechanical heterogeneity, it is recommended to obtain and use local fracture resistance properties related to crack locations.     

Micro/nanomechanical characterization of ceramic films for microdevices

Microelectromechanical systems (MEMS) are currently fabricated using single-crystal silicon, various polysilicon films and other ceramic materials. Silicon carbide (SiC) film has recently been pursued as a material for use in MEMS devices owing to its excellent mechanical properties and high-temperature capabilities. Since physical and chemical properties, friction and wear are important issues in such small-scale devices, it is essential that the materials used in MEMS have good micro/nanomechanical and tribological properties. Micro/nanomechanical characterization of single-crystal 3C-SiC (cubic or β-SiC) films, undoped and doped (n⁺-type) polysilicon films have been carried out. For comparision, measurements on undoped single-crystal Si(100) have also been made. Hardness, elastic modulus and scratch resistance of these materials were measured by nanoindentation and microscratching using a nanoindenter. Fracture toughness was measured by microindentation using a microindenter. Friction and wear properties were measured using an accelerated ball-on-flat tribometer. It is found that the 3C-SiC film exhibits higher hardness, elastic modulus and scratch resistance as well as lower friction compared to other materials. These results show that the 3C-SiC film possesses desirable micro/nanomechanical properties that make it an ideal material for use in MEMS devices.     

Hierarchical Structured Multifunctional Self‐Cleaning Material with Durable Superhydrophobicity and Photocatalytic Functionalities

Self‐cleaning materials, which are inspired and derived from natural phenomena, have gained significant scientific and commercial interest in the past decades as they are energy‐ and labor‐saving and environmentally friendly. Several technologies are developed to obtain self‐cleaning materials. The combination of superhydrophobic and photocatalytic properties enables the efficient removal of solid particles and organic contaminations, which could reduce or damage the superhydrophobicity. However, the fragility of the nanoscale roughness of the superhydrophobic surface limits its practical application. Here, a hierarchical structure approach combining micro‐ and nanoscale architectures is created to protect the nanoscale surface roughness from mechanical damage. Glass beads of 75 µm are partially embedded into a low‐density polyethylene film. This composite surface is coated with silicone nanofilaments (SNFs) via the droplet‐assisted growth and shaping approach, providing the nanoscale surface roughness as well as the support for the photocatalyst with enlarged surface area. TiO₂ nanoparticles, which serve as the photocatalyst, are synthesized in situ on SNFs through a hydrothermal reaction. The self‐cleaning effect is proved using wettability measurements for various liquids, degradation of organic contamination under UV light, and antibacterial tests. The enhanced mechanical durability of the hierarchical structure of the composite material is verified with an abrasion test.     

An extended finite element/level set method to study surface effects on the mechanical behavior and properties of nanomaterials

We present a new approach based on coupling the extended finite element method (XFEM) and level sets to study surface and interface effects on the mechanical behavior of nanostructures. The coupled XFEM‐level set approach enables a continuum solution to nanomechanical boundary value problems in which discontinuities in both strain and displacement due to surfaces and interfaces are easily handled, while simultaneously accounting for critical nanoscale surface effects, including surface energy, stress, elasticity and interface decohesion. We validate the proposed approach by studying the surface‐stress‐driven relaxation of homogeneous and bi‐layer nanoplates as well as the contribution from the surface elasticity to the effective stiffness of nanobeams. For each case, we compare the numerical results with new analytical solutions that we have derived for these simple problems; for the problem involving the surface‐stress‐driven relaxation of a homogeneous nanoplate, we further validate the proposed approach by comparing the results with those obtained from both fully atomistic simulations and previous multiscale calculations based upon the surface Cauchy–Born model. These numerical results show that the proposed method can be used to gain critical insights into how surface effects impact the mechanical behavior and properties of homogeneous and composite nanobeams under generalized mechanical deformation. Copyright © 2010 John Wiley & Sons, Ltd.     

Carbon nanotubes for orthopaedic implants

The physical and biological limitations of current orthopaedic implant materials are a major challenge for bone tissue engineering. Nanotechnology has introduced new materials and methods for meeting this challenge. The application of nanotechnology to engineering new bone substitutes finds a model in the nanoscale components of natural bone tissue. Carbon nanotubes are a macromolecular form of carbon with exceptional properties and similar morphology and dimensions to the nanoscale collagen fibers of natural bone tissue. Carbon nanotubes have been used in two main areas of bone tissue engineering: for structural and electrical enhancement of polymer and ceramic composites and for nanostructured coatings to improve the bioactivity of implant surfaces. By incorporating carbon nanotubes into the design and engineering of bone tissue substitutes, researchers have attempted to overcome limitations in the structural and biological compatibility of traditional orthopaedic implant materials.     

纳米铁电材料铁电性及其力电耦合特性的原子尺度模拟研究

纳米铁电材料的几何构型和特征尺寸严重影响着材料的铁电性, 对微电子器件中功能材料的可靠性有着至关重要的影响。数值模拟是研究铁电材料物理特性的重要手段, 并且当材料的特征尺寸缩小至数个纳米的量级时, 由于极小试样精密制备和微小物理量准确测量等方面困难的制约, 数值模拟可能是唯一有效的办法。本文综述了典型二维、一维及零维纳米铁电材料铁电性的若干数值模拟研究进展, 重点介绍了纳米铁电材料的极化分布、铁电相变、铁电临界尺寸和力电耦合特性等关键问题的研究成果, 展望了纳米铁电材料模拟研究方面的研究重点。     

An atomic-resolution nanomechanical mass sensor

Mechanical resonators are widely used as inertial balances to detect small quantities of adsorbed mass through shifts in oscillation frequency. Advances in lithography and materials synthesis have enabled the fabrication of nanoscale mechanical resonators, which have been operated as precision force, position and mass sensors. Here we demonstrate a room-temperature, carbon-nanotube-based nanomechanical resonator with atomic mass resolution. This device is essentially a mass spectrometer with a mass sensitivity of 1.3 x 10(-25) kg Hz(-1/2) or, equivalently, 0.40 gold atoms Hz(-1/2). Using this extreme mass sensitivity, we observe atomic mass shot noise, which is analogous to the electronic shot noise measured in many semiconductor experiments. Unlike traditional mass spectrometers, nanomechanical mass spectrometers do not require the potentially destructive ionization of the test sample, are more sensitive to large molecules, and could eventually be incorporated on a chip.     

Nanomechanical and Charge Transport Properties of Two‐Dimensional Atomic Sheets

The materials properties of graphene and other two‐dimensional atomic sheets are influenced by atomic‐scale defects, mechanical deformation, and microstructures. Thus, for graphene‐based applications, it is essential to uncover the roles of atomic‐scale defects and domain structures of two‐dimensional layers in charge transport properties. This review highlights recent studies of nanomechanical and charge transport properties of two‐dimensional atomic sheets, including graphene, MoS₂, and boron nitrides. Because of intrinsic structural differences, two‐dimensional atomic sheets give rise to unique nanomechanical properties, including a dependence on layer thickness and chemical modification that is in contrast to three‐dimensional continuum media. Mapping of local conductance and nanomechanical properties on a graphene layer can be used to image the domain and microstructures of two‐dimensional atomic layers. This paper also reviews recent experimental and theoretical findings on the role of bending, defects, and microstructures on nanomechanical and transport properties of graphene‐derived materials.     

Multilevel Hierarchically Ordered Artificial Biomineral

Living organisms are known for creating complex organic–inorganic hybrid materials such as bone, teeth, and shells, which possess outstanding functions as compared to their simple mineral forms. This has inspired many attempts to mimic such structures, but has yielded few practical advances. In this study, a multilevel hierarchically ordered artificial biomineral (a composite of hydroxyapatite and gelatine) with favorable nanomechanical properties is reported. A typical optimized HAp/gelatin hybrid material in the perpendicular direction of the HAp c‐axis has a modulus of 25.91 + 1.78 GPa and hardness of 0.90 + 0.10 GPa, which well matches that of human cortical bone (modulus 24.3 + 1.4 GPa, hardness 0.69 + 0.05 GPa). The bottom‐up crystal constructions (from nano‐ to micro‐ to macroscale) of this material are achieved through a hard template approach by the phase transformation from DCP to HAp. The structural biomimetic material shows another way to mimic the complex hierarchical designs of sclerous tissues which have potential value for application in hard tissue engineering.     

In-situ observation of switchable nanoscale topography for y-shaped binary brushes in fluids

Direct, in-fluid observation of the surface morphology and nanomechanical properties of the mixed brushes composed of Y-shaped binary molecules PS-PAA revealed nanoscale network-like surface topography formed by coexisting stretched soluble PAA arms and collapsed insoluble PS chains in water. Placement of Y-shaped brushes in different fluids resulted in dramatic reorganization ranging from soft repellent layer covered by swollen PS arms in toluene to an adhesive, mixed layer composed of coexisting swollen PAA and collapsed PS arms in water. These binary layers with the overall nanoscale thickness can serve as adaptive nanocoatings with stimuli-responsive properties.     

An atomic force microscopy tip model for investigating the mechanical properties of materials at the nanoscale

Investigation of the mechanical properties of materials at the nanoscale is often performed by atomic force microscopy nanoindentation. However, substrates with large surface roughness and heterogeneity demand careful data analysis. This requirement is even more stringent when surface indentations with a typical depth of a few nanometers are produced to test material hardness. Accordingly, we developed a geometrical model of the nanoindenter, which was first validated by measurements on a reference gold sample. Then we used this technique to investigate the mechanical properties of a coating layer made of Balinit C, a commercially available alloy with superior anti-wear features deposited on steel. The reported results support the feasibility of reliable hardness measurements with truly nanosized indents.