Coupling of nano-indentation and crystal plasticity finite element (CPFE) simulations is widely used to quantitatively probe the small-scale mechanical behaviour of materials. Earlier studies showed that CPFE can successfully reproduce the load-displacement curves and surface morphology for different crystal orientations. Here, we report the orientation dependence of residual lattice strain patterns and dislocation structures in tungsten. For orientations with one or more Burgers vectors close to parallel to the sample surface, dislocation movement and residual lattice strains are confined to long, narrow channels. CPFE is unable to reproduce this behaviour, and our analysis reveals the responsible underlying mechanisms.
Decoupling Strain-Rate Sensitivity and Deformation Length Scale Effects in Neutron-Irradiated Tungsten: A Coupled Nano-Indentation, HR-EBSD and Crystal Plasticity Study
Indian Institute of Science（印度科学学院）；University of Oxford（牛津大学）；UK Atomic Energy Authority（英国原子能管理局）
Predicting the dramatic changes in material properties caused by irradiation damage is key for the design of future nuclear fission and fusion reactors. Self-ion implantation is an attractive tool for mimicking the effects of neutron irradiation. However, the damaged layer of implanted samples is only few microns thick, making it difficult to estimate macroscopic properties. Here we address this challenge using a combination of experimental and modelling techniques. We concentrate on self-ion-implanted tungsten, the front-runner for fusion armour components and a prototypical bcc material. To …
Nanoindentation is an effective way of finding mechanical properties at nanoscale. They are especially useful for thin films where elimination of the substrate effect is required. The mechanism is based upon depth sensing indentation based on Oliver and Pharr modeling. Nanoindentation was used to evaluate the nanomechanical and fractographic properties of hard coatings deposited by magnetron sputtering. Radial and lateral cracks accompanied by delamination of the coatings were observed during the indentation tests. A novel phenomenon of stress induced crystallization was observed in case of th…
Micro-/nano-indentations have been widely used to measure the mechanical properties of biological cells and tissues, but direct application of classical Hertzian contact model would lead to overestimation of elastic modulus due to the influence of finite thickness and surface energy. In this work, we analyze spherical indentation of biological films considering both large deformation and surface energy. The hyperelastic behavior of biological films is characterized by neo-Hookean model, and the influence of surface energy is addressed through finite element simulation. Based on dimensional ana…
In this paper, we investigate the residual deformation field in the vicinity of nano-scratch tests using two orientations of a Berkovich tip on an (001) Cu single crystal. We compare the deformation with that from indentation, in an attempt to understand the mechanisms of deformation in tangential sliding. The lattice rotation fields are mapped experimentally using high-resolution electron backscatter diffraction (HR-EBSD) on cross-sections prepared using focused ion beam (FIB). A physically-based crystal plasticity finite element model (CPFEM) is used to simulate the lattice rotation fields, …
Nano-indentation of circular graphene flakes are studied by using Molecular Dynamics simulation. We show that the theory of continuum elasticity based on nonlinear Föpple-Hencky equations is applicable on a circular suspended graphene flake. Our simulation results are plenty compatible to those results calculated by the nonlinear elasticity theory. We find the force-displacement curves in good agreement with the recent experimental measurements and conclude they are temperature independent. In addition, we find the vibration frequency for such a system and monitor that it behaves as a sinusoid…
We have calculated the migration barriers for surface diffusion on Tungsten. Our results form a self-sufficient parameterization for Kinetic Monte Carlo simulations of arbitrarily rough atomic tungsten surfaces, as well as nanostructures such as nanotips and nanoclusters. The parameterization includes first- and second-nearest neighbour atom jump processes, as well as a third-nearest neighbour exchange process. The migration energy barriers of all processes are calculated with the Nudged Elastic Band method. The same attempt frequency for all processes is found sufficient and the value is fitt…
Irradiation of a sharp tungsten tip by a femtosecond laser and exposed to a strong DC electric field led to gradual and reproducible surface modifications. By a combination of field emission microscopy and scanning electron microscopy, we observed asymmetric surface faceting with sub-ten nanometer high steps. The presence of well pronounced faceted features mainly on the laser-exposed side implies that the surface modification was driven by a laser-induced transient temperature rise -- on a scale of a couple of picoseconds -- in the tungsten tip apex. Moreover, we identified the formation of a…
Using molecular-dynamics simulation and finite-element modelling, we simulate nanoindentation into the three principal surfaces -- the (100), (110) and (111) surface -- of Cu and Al. In the elastic regime, the simulation data agree fairly well with the linear elastic theory of indentation into an elastically anisotropic substrate. With increasing indentation, the effect of pressure hardening becomes visible. When the critical stress for dislocation nucleation is reached, even the elastically isotropic Al shows a strong dependence of the surface orientation on the force-displacement curves. Aft…
Tungsten is the main candidate material for plasma-facing armour components in future fusion reactors. In-service, fusion neutron irradiation creates lattice defects through collision cascades. Helium, injected from plasma, aggravates damage by increasing defect retention. Both can be mimicked using helium-ion-implantation. In a recent study on 3000 appm helium-implanted tungsten (W-3000He), we hypothesized helium-induced irradiation hardening, followed by softening during deformation. The hypothesis was founded on observations of large increase in hardness, substantial pile-up and slip-step f…
Pulsed Laser Deposition allows to obtain W and W-Ta alloy coatings with different nanostructures, monitored by X-ray diffraction. The correlation between such structures and the elastic properties is investigated for amorphous-like, ultra-nano- and nano-crystalline coatings obtained by tuning the gas pressure during deposition, annealing temperature and Ta concentration. The full elastic characterization is achieved by surface Brillouin spectroscopy, interpreted by isotropic and anisotropic film models. Amorphous like coatings are obtained with He pressures of tens of Pa. In comparison with bu…
The impacts of radiative, electrical and thermal losses on the power output enhancement of nanoscale-gap thermophotovoltaic (nano-TPV) power generators consisting of a gallium antimonide cell paired with a broadband tungsten and a radiatively-optimized Drude radiator are analyzed. Results reveal that surface mode mediated nano-TPV power generation with the Drude radiator outperforms the tungsten emitter, dominated by frustrated modes, only for a vacuum gap thickness of 10 nm and if both electrical and thermal losses are neglected. The key limiting factors for the Drude and tungsten-based devic…
The in plane coefficient of thermal expansion (CTE) and the residual stress of nanostructured W based coatings are extensively investigated. The CTE and the residual stresses are derived by means of an optimized ad-hoc developed experimental setup based on the detection of the substrate curvature by a laser system. The nanostructured coatings are deposited by Pulsed Laser Deposition. Thanks to its versatility, nanocrystalline W metallic coatings, ultra-nano-crystalline pure W and W-Tantalum coatings and amorphous-like W coatings are obtained. The correlation between the nanostructure, the resi…
We introduce the use of pure molten ortho-phosphoric acid (o-H3PO4) as an electrolyte for selforganizing electrochemistry. This electrolyte allows for the formation of self-organized oxide architectures (one-dimensional nanotubes, nanochannels, nanopores) on metals such as tungsten that up to now were regarded as very difficult to grow self-ordered anodic oxide structures. In this work, we show particularly the fabrication of thick, vertically aligned tungsten oxide nanochannel layers, with pore diameter of ca. 10 nm, and illustrate their potential use in some typical applications.
In this study nanoscale structure and associated energy dissipation behavior of nanoparticulates of tungsten disulphide (WS2) and nanoparticles of gold (Au) were investigated by advanced scanning probe and electron microscopy techniques. WS2 nanoparticulates were deposited on silicon substrate by van der Waals adhesion transfer-deposition mechanisms. The templates of three size variants of Au nanoparticles, close packed (4-6nm), well dispersed (120-150nm) and clusters of (120-150 nm) nanoparticles were prepared on silicon substrates. Nano-microstructure, morphology, topography and phase shift …
Load-depth relation is the fundamental requisite in nanoindentation tests for thin layers, however, the effects of surface tension are seldom included. This paper concerns micro-/nano-sized indentation of a bonded elastic layer by a rigid sphere. The surface Green function with the incorporation of surface tension is first derived by applying the Hankel integral transform, and subsequently used to formulate the governing integral equation for the axisymmetric contact problem. By using a numerical method based on Gauss-Chebyshev quadrature formula, the singular integral equation is solved effic…
We present calculations of secondary electron emission (SEE) yields in tungsten as a function of primary electron energies between 50 eV and 1 keV and incidence angles between 0 and 90°. We conduct a review of the established Monte Carlo methods to simulate multiple electron scattering in solids and select the best suited to study SEE in high-Z metals. We generate secondary electron yield and emission energy functions of the incident energy and angle and fit them to bivariate fitting functions using symbolic regression. We compare the numerical results with experimental data, with good agreeme…
Size dependent hardness has long been reported in nanosized indentations, however the corresponding explanation is still in exploration. In this paper, we examine the influence of surface energy on the hardness of materials under spherical indentation. To evaluate the ability of materials to resist indentation, a yield hardness is defined here as the contact pressure at the inception of material yield. It is found that this defined hardness is an intrinsic material property depending only on the yield strength and Poisson ratio in conventional continuum mechanics. Then, the impact of surface e…
We present a high-throughput nanoindentation study of in-situ bending effects on incipient plastic deformation behavior of polycrystalline and single-crystalline pure aluminum and pure copper at ultra-nano depths (<200nm). We find that hardness displays a statistically inverse dependence on in-plane stress for indentation depths smaller than 10nm, and the dependence disappears for larger indentation depths. In addition, plastic noise in the nanoindentation force and displacement displays statistically robust noise features, independently of applied stresses. Our experimental results suggest th…
Tungsten and cobalt carbonyls adsorbed on a substrate are typical starting points for the electron beam induced deposition of tungsten or cobalt based metallic nanostructures. We employ first principles molecular dynamics simulations to investigate the dynamics and vibrational spectra of W(CO)6 and W(CO)5 as well as Co2(CO)8 and Co(CO)4 precursor molecules on fully and partially hydroxylated silica surfaces. Such surfaces resemble the initial conditions of electron beam induced growth processes. We find that both W(CO)6 and Co2(CO)8 are stable at room temperature and mobile on a silica surface…
The first plastic event occurring in discrete intermittent plasticity, as for example a pop-in seen in nano-indentation, is evaluated with extreme value statistics. It is found that when the same deformation is repeated many times, the average of the stress at this first event is related to the deforming volume via an exponentially truncated power-law. The present work demonstrates this trend and the expected Weibull fluctuation around it. The statistical formalism is shown to apply to the nano-indentation data of Morris {\em et al}, Phys. Rev. Lett. 106, 165502 (2011), as well as to dislocati…
The creep mechanism in the compression testing of the tungsten carbide with different grain sizes has been studied. The WC samples with high density (96.1-99.2%) were obtained by SPS from nano-, submicron, and micron-grade WC powders. The samples had a coarse-grained (CG) surface layers of ~0.3 mm in thickness and ultrafine-grained (UFG) central parts consisting of WC with a small fraction of W2C. The creep tests were conducted in two regimes: (Mode #1) holding at different temperatures (1300-1375C) at 70 MPa; (Mode #2) tests at different stresses (50, 70, 90 MPa) at 1325C. Tests in Mode #1 we…
Surface tension is a prominent factor for the deformation of solids at micro-/nano-scale. This paper investigates the effects of surface tension on the two-dimensional contact problems of an elastic layer bonded to the rigid substrate. Under the plane strain assumption, the elastic field induced by a uniformly distributed pressure within a finite width is formulated by applying the Fourier integral transform, and the limiting process leading to the solutions for a line force brings the requisite surface Greens function. For the indentation of an elastic layer by a rigid cylinder, the correspon…
Developing a comprehensive understanding of the modification of material properties by neutron irradiation is important for the design of future fission and fusion power reactors. Self-ion implantation is commonly used to mimic neutron irradiation damage, however an interesting question concerns the effect of ion energy on the resulting damage structures. The reduction in the thickness of the implanted layer as the implantation energy is reduced results in the significant quandary: Does one attempt to match the primary knock-on atom energy produced during neutron irradiation or implant at a mu…
Plastic deformation mechanisms during nanoindentation of W, Mo, V body-centered cubic single crystals and their corresponding W-Mo, W-V equiatomic random solid solutions
