Length Scales Research Articles

Revealing the grain boundary effect on interfacial adhesion in polycrystal Fe/Ni interfaces by using a multi-scale CZM-CPFEM approach

In layered structure, interface plays a significant role in property improvement, whereas its multiple factors at various length scales restricted further understanding. Previous research found a novel grain boundary (GB)-interface interaction: crack initiation locally occurred at the junctions between pre-existing GBs and interface. This leads to decreased interfacial strength. To clarify the mechanisms of such GB-interface interaction, the present study proposed a multi-scale cohesive zone model-crystal plasticity finite element method (CZM-CPFEM) model to investigate the effect of pre-existing GB on intrinsic bonding strength at atomic scale and interfacial stress distribution at micro scale, respectively. At atomic scale, interfacial fracture criteria were modelled according to Molecular Dynamics (MD)-based traction-separation relationships. The accuracy of CZMs was improved by considering both isothermal holding and tilting configuration effects. At micro scale, a practical interfacial microstructure was used to construct CPFEM models. Tensile simulations showed that the local stress concentration occurred at junctions, attributed to the anisotropic plastic deformation behaviours across the GB. On the other hand, weak bonding adhesion at the junction only affects the local crack initiation strength, showing insignificant impacts on the overall interfacial fracture behaviour.

Correlating activities and defects in (photo)electrocatalysts using in-situ multi-modal microscopic imaging

Photo(electro)catalysts use sunlight to drive chemical reactions such as water splitting. A major factor limiting photocatalyst development is physicochemical heterogeneity which leads to spatially dependent reactivity. To link structure and function in such systems, simultaneous probing of the electrochemical environment at microscopic length scales and a broad range of timescales (ns to s) is required. Here, we address this challenge by developing and applying in-situ (optical) microscopies to map and correlate local electrochemical activity, with hole lifetimes, oxygen vacancy concentrations and photoelectrode crystal structure. Using this multi-modal approach, we study prototypical hematite (α-Fe2O3) photoelectrodes. We demonstrate that regions of α-Fe2O3, adjacent to microstructural cracks have a better photoelectrochemical response and reduced back electron recombination due to an optimal oxygen vacancy concentration, with the film thickness and extended light exposure also influencing local activity. Our work highlights the importance of microscopic mapping to understand activity, in even seemingly homogeneous photoelectrodes.

Hierarchical Self-Assembly of Multidimensional Functional Materials from Sequence-Defined Peptoids.

Hierarchical self-assembly represents a powerful strategy for the fabrication of functional materials across various length scales. However, achieving precise formation of functional hierarchical assemblies remains a significant challenge and requires a profound understanding of molecular assembly interactions. In this study, we present a molecular-level understanding of the hierarchical assembly of sequence-defined peptoids into multidimensional functional materials, including twisted nanotube bundles serving as a highly efficient artificial light harvesting system. By employing synchrotron-based powder X-ray diffraction and analyzing single crystal structures of model compounds, we elucidated the molecular packing and mechanisms underlying the assembly of peptoids into multidimensional nanostructures. Our findings demonstrate that incorporating aromatic functional groups, such as tetraphenyl ethylene (TPE), at the termini of assembling peptoid sequences promotes the formation of twisted bundles of nanotubes and nanosheets, thus enabling the creation of a highly efficient artificial light harvesting system. This research exemplifies the potential of leveraging sequence-defined synthetic polymers to translate microscopic molecular structures into macroscopic assemblies. It holds promise for the development of functional materials with precisely controlled hierarchical structures and designed functions.

Investigating the Effect of the Separation of Scales in Reduced Order Battery Modelling: Implications on the Validity of the Newman Model

Abstract Modelling lithium-ion battery behaviour is essential for performance prediction and design improvement. However, this task is challenging due to processes spanning many length scales, leading to computationally expensive models. Reduced order models have been developed to address this, assuming a "separation of scales" between micro- and macroscales. This study compares two approaches: direct microstructure-resolved 3D domain electrochemical modelling and a simplified 1D homogenized model, similar to the Doyle-Fuller-Newman model. 

The research investigates the validity of the scale separation assumption in continuum electrode-level models by varying scale separation factors, boundary conditions, and geometries. The findings reveal that in 3D models, more tortuous, less porous microstructures deviate more from 1D predictions, especially under higher discharge rates. However, under realistic conditions, with an electrode featuring eight particles across its thickness and typical transport properties, the 3D model predicts only a slight (2%) increase in current compared to the 1D model at a high rate of 7C (approximately 350 A/m²).

These results suggest that the separation of scales assumption in the DFN model is generally suitable for a wide range of operating conditions. However, 1D models may overlook local variations in electrolyte concentration and potential, crucial for understanding degradation mechanisms.

From creep to flow: Granular materials under cyclic shear

When unperturbed, granular materials form stable structures that resemble the ones of other amorphous solids like metallic or colloidal glasses. Whether or not granular materials under shear have an elastic response is not known, and also the influence of particle surface roughness on the yielding transition has so far remained elusive. Here we use X-ray tomography to determine the three-dimensional microscopic dynamics of two granular systems that have different roughness and that are driven by cyclic shear. Both systems, and for all shear amplitudes Γ considered, show a cross-over from creep to diffusive dynamics, indicating that rough granular materials have no elastic response and always yield, in stark contrast to simple glasses. For the system with small roughness, we observe a clear dynamic change at Γ ≈ 0.1, accompanied by a pronounced slowing down and dynamical heterogeneity. For the large roughness system, the dynamics evolves instead continuously as a function of Γ. We rationalize this roughness dependence using the potential energy landscape of the systems: The roughness induces to this landscape a micro-corrugation with a new length scale, whose ratio over the particle size is the relevant parameter. Our results reveal the unexpected richness in relaxation mechanisms for real granular materials.

Hierarchical Self‐Assembly of Multidimensional Functional Materials from Sequence‐Defined Peptoids

AbstractHierarchical self‐assembly represents a powerful strategy for the fabrication of functional materials across various length scales. However, achieving precise formation of functional hierarchical assemblies remains a significant challenge and requires a profound understanding of molecular assembly interactions. In this study, we present a molecular‐level understanding of the hierarchical assembly of sequence‐defined peptoids into multidimensional functional materials, including twisted nanotube bundles serving as a highly efficient artificial light harvesting system. By employing synchrotron‐based powder X‐ray diffraction and analyzing single crystal structures of model compounds, we elucidated the molecular packing and mechanisms underlying the assembly of peptoids into multidimensional nanostructures. Our findings demonstrate that incorporating aromatic functional groups, such as tetraphenyl ethylene (TPE), at the termini of assembling peptoid sequences promotes the formation of twisted bundles of nanotubes and nanosheets, thus enabling the creation of a highly efficient artificial light harvesting system. This research exemplifies the potential of leveraging sequence‐defined synthetic polymers to translate microscopic molecular structures into macroscopic assemblies. It holds promise for the development of functional materials with precisely controlled hierarchical structures and designed functions.

Hindi translation and cultural adaptation of the quality of recovery score-40 (QoR-40 score): A validation study

Background and Aims: The quality of recovery (QoR)-40 score has been used worldwide and validated in many surgical cohorts to assess global patient recovery. We aim to translate and culturally adapt the QoR-40 score into Hindi and test the validity and reliability of the translated version in patients undergoing cancer surgery. Methods: The translation of the QoR-40 questionnaire was based on the forward and backward translation methods. Patients filled out the translated version of the QoR-40 preoperatively, on the third postoperative day in the morning (POD3) and the evening. The reliability of the translated questionnaire was checked for internal consistency, test-retest reliability and split-half reliability. Construct validity was assessed with a correlation coefficient value between the total QoR-40 score, visual analogue scale (VAS) for pain and total length of hospital stay. Content validity was evaluated for feasibility and understanding. Results: The questionnaire was completed by 350 patients. The correlation coefficient r for repeatability was 0.21, the split-half test was 0.92, and Cronbach’s alpha was 0.82. The correlation between QoR-40 on POD3 with VAS score and length of stay was -0.35 and -0.67, respectively. The average time to complete the questionnaire was 3.8 minutes; 90% of the respondents found the translated questionnaire easy to understand, and 92% of the patients related the questions to their recovery. Conclusion: The Hindi translation of the QoR-40 questionnaire is a valid and reliable version of the original questionnaire in English to assess the QoR in Hindi-speaking patients after cancer surgery.

All-optical subcycle microscopy on atomic length scales.

Bringing optical microscopy to the shortest possible length and time scales has been a long-soughtgoal, connecting nanoscopic elementary dynamics with the macroscopic functionalities of condensed matter. Super-resolution microscopy has circumvented the far-field diffraction limit by harnessing optical nonlinearities1. By exploiting linear interaction with tip-confined evanescent light fields2, near-field microscopy3,4 has reached even higher resolution, prompting a vibrant research field by exploring the nanocosm in motion5-19. Yet the finite radius of the nanometre-sized tip apex has prevented access to atomic resolution20. Here we leverage extreme atomic nonlinearities within tip-confined evanescent fields to push all-optical microscopy to picometric spatial and femtosecond temporal resolution. On these scales, we discover an unprecedented and efficient non-classical near-field response, in phase with the vector potential of light and strictly confined to atomic dimensions. This ultrafast signal is characterized by an optical phase delay of approximately π/2 and facilitates direct monitoring of tunnelling dynamics. We showcase the power of our optical concept by imaging nanometre-sized defects hidden to atomic force microscopy and by subcycle sampling of current transients on a semiconducting van der Waals material. Our results facilitate access to quantum light-matter interaction and electronic dynamics at ultimately short spatio-temporal scales in both conductive and insulating quantum materials.

Giant Terahertz Birefringence in an Ultrathin Anisotropic Semimetal.

Manipulating the polarization of light at the nanoscale is key to the development of next-generation optoelectronic devices. This is typically done via waveplates using optically anisotropic crystals, with thicknesses on the order of the wavelength. Here, using a novel ultrafast electron-beam-based technique sensitive to transient near fields at THz frequencies, we observe a giant anisotropy in the linear optical response in the semimetal WTe2 and demonstrate that one can tune the THz polarization using a 50 nm thick film, acting as a broadband wave plate with thickness 3 orders of magnitude smaller than the wavelength. The observed circular deflections of the electron beam are consistent with simulations tracking the trajectory of the electron beam in the near field of the THz pulse. This finding offers a promising approach to enable atomically thin THz polarization control using anisotropic semimetals and defines new approaches for characterizing THz near-field optical response at far-subwavelength length scales.

Escape from textured adsorbing surfaces.

The escape dynamics of sticky particles from textured surfaces is poorly understood despite importance to various scientific and technological domains. In this work, we address this challenge by investigating the escape time of adsorbates from prevalent surface topographies, including holes/pits, pillars, and grooves. Analytical expressions for the probability density function and the mean of the escape time are derived. A particularly interesting scenario is that of very deep and narrow confining spaces within the surface. In this case, the joint effect of the entrapment and stickiness prolongs the escape time, resulting in an effective desorption rate that is dramatically lower than that of the untextured surface. This rate is shown to abide a universal scaling law, which couples the equilibrium constants of adsorption with the relevant confining length scales. While our results are analytical and exact, we also present an approximation for deep and narrow cavities based on an effective description of one-dimensional diffusion that is punctuated by motionless adsorption events. This simple and physically motivated approximation provides high-accuracy predictions within its range of validity and works relatively well even for cavities of intermediate depth. All theoretical results are corroborated with extensive Monte Carlo simulations.

Broadband Noise Reduction of a Two-Stage Fan with Wavy Trailing-Edge Blades

In this paper, a numerical investigation is performed to study the broadband noise of a fan stage with wavy trailing-edge blades. A study of the wavelength and ratio of amplitude to wavelength (H/L) is conducted to better understand the noise reduction effect of wavy trailing-edge blades. A rotor–stator interaction broadband noise prediction method based on the result of a Reynolds-averaged Navier–Stokes equation is used. The results show that all wavy trailing-edge configurations reduce the sound power level of the fan stage. The noise reduction effect of H20L10 is the best among all the wavy trailing-edge configurations, and the sound power level is reduced by 2.4 dB at 1000 Hz. When the H/L remains unchanged, the noise reduction effect of the wavy trailing-edge configuration increases with the increase in wavelength. When the wavelength remains unchanged, the noise reduction effect of the wavy trailing-edge configuration with an H/L of 2 is the best. The use of wavy trailing-edge configurations reduces the turbulent kinetic energy and turbulent integral length scale upstream of the stator by changing the wake of the rotor, thereby reducing the rotor–stator interaction broadband noise of the fan stage.

Ship Flow of the Ryuko-maru Calculated by the Reynolds Stress Model Using the Roughness Function at the Full Scale

The k-omega SST turbulence model is extensively employed in Reynolds-averaged Navier–Stokes (RANS)-based Computational Fluid Dynamics (CFD) calculations. However, the accuracy of the estimation of viscous resistance and companion flow distribution for full-sized vessels is not sufficient. This study conducted a computational analysis of the flow around the Ryuko-maru at model-scale and full-scale Reynolds numbers utilizing the Reynolds stress turbulence model (RSM). The obtained Reynolds stress distribution from the model-scale computation was compared against experimental measurements to assess the capability of the RSM. Furthermore, full-scale computations were performed, incorporating the influence of hull surface roughness, with the resulting wake distributions juxtaposed with the actual ship measurements. The full-scale calculation employed the sand-grain roughness function, and an optimal roughness length scale was determined by aligning the computed wake distribution with Ryuko-maru’s measured data. The results of this study will allow for the direct performance estimation of full-scale ships and contribute to the design technology of performance.

A new buckling model for thin-walled micro-beams based on modified gradient elasticity: Coupling effect and size effect

More and more thin-walled micro-beams, including the I-section thin-walled micro-beams, are applied in MEMS. The buckling of a thin-walled micro-beam exhibits some different phenomena from that of a large scale thin-walled beam, such as the size effect, and the coupling effects caused by strain gradient. To investigate the influence of the coupling effects and size effect on the buckling of thin-walled micro-beams, a new buckling model is proposed. Based on modified gradient elasticity (MGE), the governing equations and boundary conditions of the new model are derived from the variational principle. The governing equations and boundary conditions can be simplified to the classical Vlasov's theory, the MGE Bernoulli–Euler beam model, MGE Bernoulli–Euler beam model considering bi-directional flexure respectively. Solved by the feature expansion method, the size effects of the thin-walled micro-beam can be captured by the new model, that is the buckling load increases with internal length scales. Besides the classical flexural–torsional coupling effect, two new coupling effects, such as the higher-order flexure–flexure coupling and the higher-order flexural–torsional coupling, are also captured by the new model. These two new high-order coupling effects of the new model reduce the critical buckling load of thin-walled micro-beams. The higher-order flexural–flexural coupling effect is far greater than the other two coupling effects, and the higher-order flexural–flexural coupling effect is on the same order of magnitude as the effect of MGE (size effect), with the former being negative and the latter positive. The size effect and higher-order coupling effect cannot be ignored and need to be considered carefully for the buckling of thin-walled micro-beams.

Precision three-dimensional imaging of nuclei using recoil-free jets

In this study, we explore the azimuthal angle decorrelation of lepton-jet pairs in e-p and e-A collisions as a means for precision measurements of the three-dimensional structure of bound and free nucleons. Utilizing soft-collinear effective theory, we perform the first-ever resummation of this process in e-p collisions at NNLL accuracy using a recoil-free jet axis. Our results are validated against Pythia simulations. In e-A collisions, we address the complex interplay between three characteristic length scales: the medium length L, the mean free path of the energetic parton in the medium λ, and the hadronization length Lh. We demonstrate that in the thin-dilute limit, where L ≪ Lh and L ~ λ, this process can serve as a robust probe of the three-dimensional structure for bound nucleons. We conclude by offering predictions for future experiments at the Electron-Ion Collider within this limit.

An Exploration of Cysteamine as a Subphase Additive for the Fabrication of Uniform Gold Nanorod Arrays using Langmuir-Blodgett Deposition.

Gold nanorods (AuNRs) have attracted significant attention over the past several decades for a variety of applications and there has been steady progress with regards to their synthesis and modification. Despite these advances, the assembly of AuNRs into well-organized hierarchical assemblies remains a formidable challenge. Specifically, there is a need for tools that can fabricate assemblies of nanorods over large length scales at low cost with the potential for high-throughput manufacturing. Langmuir-Blodgettry is a monolayer deposition technique which has been primarily applied to amphiphilic molecules, but which has recently shown promise for the ordering of functionalized nanoparticles residing at the air-water interface. In this work, Langmuir-Blodgett deposition is explored for the formation of AuNR arrays for enhanced surface-enhanced Raman spectroscopy (SERS) sensing.In particular, both surface modification of the AuNRs as well as subphase modification with cysteamine were evaluated for AuNR array fabrication.

Identifying diffusive length scales in one-dimensional Bose gases

In the hydrodynamics of integrable models, diffusion is a subleading correction to ballistic propagation. Here we quantify the diffusive contribution for one-dimensional Bose gases and find it most influential in the crossover between the main thermodynamic regimes of the gas. Analysing the experimentally measured dynamics of a single density mode, we find diffusion to be relevant only for high wavelength excitations. Instead, the observed relaxation is solely caused by a ballistically driven dephasing process, whose time scale is related to the phonon lifetime of the system and is thus useful to evaluate the applicability of the phonon bases typically used in quantum field simulators.

2D Model For Addu City Project - Wave Transformation Over Reef Flat

Van Oord DMC was awarded the Contract for the Reclamation by Dredging and Shore Protection works for land in Addu City by The Ministry of National Planning, Housing and Infrastructure of the Maldives. The Scope of Works consists of the Design and Construction of (among others) Reclamation and Shore Protection Works on various locations in the Addu City atoll. The project execution started in 2022 and has been finalized at the end of 2023. The design of the Shore Protection Works has been verified in 2022 by means of 2D physical model testing in the wave flume of DHI in Denmark. Cross-sections of shore protection works for three different reclamation areas have been tested, where this abstract will focus on 2 locations at the outside of the atoll: Maradhoo and Four Lane Link Road (4LLR). All dimensions given in this abstract are prototype values, unless otherwise specified. The length scale of the both models was selected at 1:30. The foreshore of the 2 tested cross-sections is very typical for atolls, consisting of a relatively shallow reef flat followed by a very steep slope to deep water. The modelled foreshores are presented in Figure 1. This figure also shows the locations of the wave gauges, which were placed both offshore (near the wave generator) and on top of the reef flat (in front of the structure). The tested seabed levels directly at the toe of the 4LLR and Maradhoo structures were MSL-0.70m and MSL-0.40m respectively. The target wave conditions were defined in deep water (in front of the wave generator), with design wave heights (Hm0) between 3.8m and 4.4m and 120% overload conditions. The tested peak wave periods (Tp) varied between 11.9s and 19.7s.

Piezoelectric Yield of Single Electrospun Poly(acrylonitrile) Ultrafine Fibers Studied by Piezoresponse Force Microscopy and Numerical Simulations.

Quantitative converse piezoelectric coefficient (d33) mapping of polymer ultrafine fibers of poly(acrylonitrile) (PAN), as well as of poly(vinylidene fluoride) (PVDF) as a reference material, obtained by rotating electrospinning, was carried out by piezoresponse force microscopy in the constant-excitation frequency-modulation mode (CE-FM-PFM). PFM mapping of single fibers reveals their piezoelectric activity and provides information on its distribution along the fiber length. Uniform behavior is typically observed on a length scale of a few micrometers. In some cases, variations with sinusoidal dependence along the fiber are reported, compatibly with a possible twisting around the fiber axis. The observed features of the piezoelectric yield have motivated numerical simulations of the surface displacement in a piezoelectric ultrafine fiber concerned by the electric field generated by biasing of the PFM probe. Uniform alignment of the piezoelectric axis along the fiber would comply with the uniform but strongly variable values observed, and sinusoidal variations were occasionally found on the fibers laying on the conductive substrate. Furthermore, in the latter case, numerical simulations show that the piezoelectric tensor's shear terms should be carefully considered in estimations since they may provide a remarkably different contribution to the overall deformation profile.

Optical phase and amplitude measurements of underwater turbulence via self-heterodyne detection

The creation of underwater optical turbulence is driven by density variations that lead to small changes in the water’s refractive index, which induce optical path length differences that affect light propagation. Measuring a laser beam’s optical phase after traversing these turbulent variations can provide insight into how the water’s turbulence behaves. The sensing technique to measure turbulent fluctuations is a self-heterodyne beatnote enhanced by light’s orbital angular momentum (OAM) to obtain simultaneous optical phase and amplitude information. Experimental results of this method are obtained in a water tank that creates a thermally driven flow called Rayleigh–Bénard (RB) convection. The results show time-varying statistics of the beatnote that depend on the incident OAM mode order and the strength of the temperature gradient. Beatnote amplitude and phase power spectral densities are compared to analytic theory to obtain estimates of the turbulent length scales using the Taylor hypothesis that include mean flow speed, turbulent strength, and length scales, and flow dynamics due to intermittency in the RB process.

Effects of phantom microstructure on their optical properties.

Developing stable, robust, and affordable tissue-mimicking phantoms is a prerequisite for any new clinical application within biomedical optics. To this end, a thorough understanding of the phantom structure and optical properties is paramount. We characterized the structural and optical properties of PlatSil SiliGlass phantoms using experimental and numerical approaches to examine the effects of phantom microstructure on their overall optical properties. We employed scanning electron microscope (SEM), hyperspectral imaging (HSI), and spectroscopy in combination with Mie theory modeling and inverse Monte Carlo to investigate the relationship between phantom constituent and overall phantom optical properties. SEM revealed that microspheres had a broad range of sizes with average and were also aggregated, which may affect overall optical properties and warrants careful preparation to minimize these effects. Spectroscopy was used to measure pigment and SiliGlass absorption coefficient in the VIS-NIR range. Size distribution was used to calculate scattering coefficients and observe the impact of phantom microstructure on scattering properties. The results were surmised in an inverse problem solution that enabled absolute determination of component volume fractions that agree with values obtained during preparation and explained experimentally observed spectral features. HSI microscopy revealed pronounced single-scattering effects that agree with single-scattering events. We show that knowledge of phantom microstructure enables absolute measurements of phantom constitution without prior calibration. Further, we show a connection across different length scales where knowledge of precise phantom component constitution can help understand macroscopically observable optical properties.