Changes In Local Geometry Research Articles

Injection-induced fault slip and associated seismicity in the lab: Insights from source mechanisms, local stress states and fault geometry

Probing source mechanisms of natural and induced earthquakes is a powerful tool to unveil associated rupture kinematics. The source processes of failure and slip instability driven by stress loading are affected by fault geometry, but the source ruptures of injection-induced seismicity in relation to fault structures and local stress states remain poorly understood. We have conducted a series of fault reactivation and slip experiments on sandstone samples containing faults with different surface roughness (smooth saw-cut fault and fractured rough fault). We impose progressive fluid injection to induce fault slip, and simultaneously monitor the associated acoustic emission (AE) activity. Using high-resolution AE recordings, we perform full moment tensor inversion of all located AE sources, and investigate the changes of AE source characteristics associated with induced fault slip and their relation to fault roughness. For the complex and rough fault, we observe significant non-double-couple components of AE sources and a high degree of focal mechanism heterogeneity. The temporal changes of AE mechanisms associated with injection-induced fault slip on the smooth fault reveal increasing proportions of double-couple components and decreasing variability of AE focal mechanisms when approaching the onset of slip events. The observed inconsistency between the nodal planes of AE sources and the macroscopic fault plane orientation is attributed to the development of secondary fracture networks surrounding the principal slip surface. We analyze changes in the magnitude-frequency characteristics and source mechanisms of AEs with fault-normal distance, showing that for the smooth (mature) fault, Gutenberg–Richter b-value of on-fault seismicity is lower and focal mechanisms are less heterogeneous, compared to off-fault seismicity. Our results emphasize the important role of roughness-related changes in local fault geometry and associated stress heterogeneity for source mechanisms and rupture kinematics of injection-induced seismicity.

X-ray and molecular dynamics study of the temperature-dependent structure of FLiNaK

The atomic structure of FLiNaK and its evolution with temperature are examined with x-ray scattering and molecular dynamics (MD) simulations in the temperature range 460–636 °C. In accord with previous studies, it’s observed that the average nearest-neighbor (NN) cation-anion coordination number increases with increasing cation size, going from ∼4 for Li-F to ∼6.4 for K-F. In addition, we find that there is a coupled change in local coordination geometry – going from tetrahedral for Li-F to octahedral for Na to very disordered quasi-cuboidal for K. The varying geometry and coordination distances for the cation-anion pairs cause a relatively constant F-F next-nearest neighbor (NNN) distance of approximately 3.1 Å. This relatively fixed distance allows the F anions to assume an overall correlated structure very similar to that of a hard-sphere liquid with an extended radius which is beyond the normal F ion size but reflects the cation-anion coordination requirements. Careful consideration of the evolution of the experimental atomic distribution functions with increasing temperature shows that the changes in correlation at each distance can be understood within the context of broadening asymmetric neighbor distributions. Within the temperature range studied, the evolution of F-F correlations with increasing temperature is consistent with changes expected in a hard-sphere liquid simply due to decreasing density.

Contact-Free, Passive, Electromagnetic Resonant Sensors for Enclosed Biomedical Applications: A Perspective on Opportunities and Challenges.

Inexpensive and accurate tools for monitoring conditions in enclosed environments (through garments, bandages, tissue, etc.) have been a long-standing goal of medicine. Passive resonant sensors are a promising solution for such wearable health sensors as well as off-body diagnostics. They are simple circuits with inherent inductance and capacitance (LC tank) that have a measurable resonant frequency. Changes in local parameters, e.g., permittivity or geometry, effect inductance and capacitance which cause a resonant frequency shift response. This signal transduction has been applied to several biomedical applications such as intracranial pressure, hemodynamics, epidermal hydration, etc. Despite these many promising applications presented in the literature, resonant sensors still do not see widespread adoption in biomedical applications, especially as wearable or embedded sensing devices. This perspective highlights some of the current challenges facing LC resonant sensors in biomedical applications, such as positional sensitivity, and potential strategies that have been developed to overcome them. An outlook on adoption in medicine and health monitoring is presented, and a perspective is given on next steps for research in this field.

Geometry and bone mineral density determinants of femoral neck strength changes following exercise

Physical exercise induces spatially heterogeneous adaptation in bone. However, it remains unclear where the changes in BMD and geometry have the greatest impact on femoral neck strength. The aim of this study was to determine the principal BMD-and-geometry changes induced by exercise that have the greatest effect on femoral neck strength. Pre- and post-exercise 3D-DXA images of the proximal femur were collected of male participants from the LIFTMOR-M exercise intervention trial. Meshes with element-by-element correspondence were generated by morphing a template mesh to each bone to calculate changes in BMD and geometry. Finite element (FE) models predicted femoral neck strength changes under single-leg stance and sideways fall load. Partial least squares regression (PLSR) models were developed with BMD-only, geometry-only, and BMD-and-geometry changes to determine the principal modes that explained the greatest variation in neck strength changes. The PLSR models explained over 90% of the strength variation with 3 PLS components using BMD-only (R2 > 0.92, RMSE < 0.06 N) and 8 PLS components with geometry-only (R2 > 0.93, RMSE < 0.06 N). Changes in the superior neck and distal cortex were most important during single-leg stance while the superior neck, medial head, and lateral trochanter were most important during a sideways fall. Local changes in femoral neck and head geometry could differentiate the exercise groups from the control group. Exercise interventions may target BMD changes in the superior neck, inferior neck, and greater trochanter for improved femoral neck strength in single-leg stance and sideways fall.

Prediction of Compressor Blade Erosion Experiments in a Cascade Based on Flat Plate Specimen

Erosion is an essential deterioration mechanism in compressors of jet engines. Erosion damage predictions require the determination of erosion rates through flat plate experiments. The applicability of the erosion rates is limited to conditions that are comparable to the prevailing boundary conditions of the flat plate experiment. A performed dimensional analysis enables the correct transfer of the flat plate erosion rates to the presented physical calculation model through limits in spatial and time resolution. This efficient approach avoids computationally intensive single-impact computations. The approach features a re-meshing procedure that adheres to the limits derived by the dimensional analysis. The computation approach is capable of describing local geometry changes on cascade compressor blades which are exposed to erosive particles. A linear erosion cascade experiment performed on NASA Rotor 37 provides validation data for the calculated erosion-induced shape change. Arizona Road Dust particles are used to deteriorate Ti-Al6-4V compressor blades. The experiment is performed at an incidence of i = 7°and Ma = 0.76 representing ground idle conditions. The presented parametric study for element size and time step revealed preferable values for the presented computation. Calculations performed with the determined values showed that the erosion prediction is within the measurement tolerance of the experiment and, therefore, high accordance between the computation and the experiment is achieved. To extend the current state of the art, it is demonstrated that the derived discretization is decisive for the correct reproduction of the eroded geometries and fitting parameters are no longer needed. The good agreement between the experimental measurements and the calculated results confirms the correct application of the physical model to the phenomenology of erosion. Thus, the presented physical model offers a novel approach to adapting deterioration mechanisms caused by erosion to any compressor blade geometry.

Twinning-assisted dynamic adjustment of grain boundary mobility

Grain boundary (GB) plasticity dominates the mechanical behaviours of nanocrystalline materials. Under mechanical loading, GB configuration and its local deformation geometry change dynamically with the deformation; the dynamic variation of GB deformability, however, remains largely elusive, especially regarding its relation with the frequently-observed GB-associated deformation twins in nanocrystalline materials. Attention here is focused on the GB dynamics in metallic nanocrystals, by means of well-designed in situ nanomechanical testing integrated with molecular dynamics simulations. GBs with low mobility are found to dynamically adjust their configurations and local deformation geometries via crystallographic twinning, which instantly changes the GB dynamics and enhances the GB mobility. This self-adjust twin-assisted GB dynamics is found common in a wide range of face-centred cubic nanocrystalline metals under different deformation conditions. These findings enrich our understanding of GB-mediated plasticity, especially the dynamic behaviour of GBs, and bear practical implication for developing high performance nanocrystalline materials through interface engineering.

Fitness landscapes for coupled map lattices.

Our goal is to match some dynamical aspects of biological systems with that of networks of coupled logistic maps. With these networks we generate sequences of iterates, convert them to symbol sequences by coarse-graining, and count the number of times combinations of symbols occur. Comparison of this with the number of times these combinations occur in experimental data-a sequence of interbeat intervals for example-is a measure of the fitness of each network to describe the target data. The most fit networks provide a cartoon that suggests a decomposition of the experimental data into a component that may be produced by a simple dynamical subsystem, and a residual component, the result of detailed, particular characteristics of the system that generated the target data. In the space of all network parameters, each point corresponds to a particular network. We construct a fitness landscape when we assign a fitness to each point. Because the parameters are distributed continuously over their ranges, and because fitnesses are estimated numerically, any plot of the landscape involves a finite sample of parameter values. We'll investigate how the local landscape geometry changes when the array of sample parameters is refined, and use the landscape geometry to explore complex relations between local fitness maxima.

Approach for Identification of Geometry Change on Cultural Heritage Surface

Application of optical metrology techniques in the collection of surface data and its 3D representation can improve the digital documentation of the conservation and restoration process of artworks. The tracking of induced change after the restoration process on cultural heritage (CH) surfaces involves a computational analysis of surface geometry. In the analysis, the conservation scientists were interested to see what impact the fillings of some holes have on its nearby surrounding during the reconstruction. In theory, the loss compensation method for stone should allow conservators to make a filling that only exists in the place of the void, but it is highly unlikely to make a filling that will only adhere to the substrate at the void site and not protrude elsewhere. According to the conservator scientists, we proposed an approach of local geometry changes to identify and visualize changes and presented the outcome through a local neighborhood distance histogram. This analysis will give us overall surface change considering each surface point and its respective neighborhood points and what impact it faced due to the reconstruction process. The work is also focused on developing the representation of each type of loss compensation method to make it more objective according to a restorer’s point of view and simplify their work visibility.

Microscale strain mapping demonstrates the importance of interface slope in the mechanics of cartilage repair

Achieving lateral integration of articular cartilage repair tissue with surrounding native cartilage remains a clinical challenge. Histological and bulk mechanical studies have identified extracellular matrix components that correlate with superior failure strength, but it is unclear how local changes in geometry and composition at the repair interface affect tissue strains under physiologic loading. Here, we investigated the effects of local compositional and interface geometry on lateral cartilage repair integration by coupling microscale Raman spectroscopy and confocal elastography to measure tissue strains under compressive and shear loading. Histological integration assessments did not have significant relationships with interface strains under compressive loading (p > 0.083) and only the perimeter attachment score was trending towards statistical significance with the |Exy| strain tensor under shear loading (p = 0.050). Interface slope had a stronger correlation with local tissue strains under compressive and shear loading compared to compositional measures of GAG, collagen, or proteins (compressive loading |Eyy| tensor: R2 = 0.400 (interface slope), 0.005 (GAG), 0.024 (collagen), and 0.012 (protein); shear loading |Exy| tensor: R2 = 0.457 (interface slope), 0.003 (GAG), 0.006 (collagen), and 0.000 (total protein)). These data support surgical publications detailing the need for vertical walls when debriding chondral defects. Current histological integration assessments and local compositional measures were insufficient for identifying the variation in interface strains under compressive and shear loading. Thus, our data points to the importance of controlling interface geometry at the time of surgery, which has implications for cartilage repair integration and long-term healing.

Hydrogen solubility and diffusivity near surface of nickel single crystals: Some implications of elastic energy

The three low index surfaces of nickel, {100}, {110} and {111}, have been investigated to question the crystallographic orientation impact on hydrogen diffusivity and solubility near the surface. Diffusion profiles from Top adsorption sites underlined that subsurface migration barriers were different from the bulk and vary depending on the crystallographic orientation, revealing a local anisotropic diffusive behavior. The local geometry change of the successive occupied octahedral sites due to surface relaxation and H incorporation have also been investigated using nickel atoms positions of relaxed structures. The surface contraction effect on local octahedral sites appeared to be comparable to a vacancy effect on its nearest neighboring sites, both in terms of spatial extend and contraction magnitude. The hydrostatic contribution to H incorporation seemed to dominate the associate internal elastic energy, leading to a good description of local H solubility with the available volume. Local anisotropy at the surface proximity in terms of diffusivity and solubility were contained within the first atomic layers.

Diagnosing the sensitivity of grounding-line flux to changes in sub-ice-shelf melting

Abstract. Using a numerical ice flow model, we study changes in ice shelf buttressing and grounding-line flux due to localized ice thickness perturbations, a proxy for localized changes in sub-ice-shelf melting. From our experiments, applied to idealized (MISMIP+) and realistic (Larsen C) ice shelf domains, we identify a correlation between a locally derived buttressing number on the ice shelf, based on the first principal stress, and changes in the integrated grounding-line flux. The origin of this correlation, however, remains elusive from the perspective of a theoretical or physically based understanding. This and the fact that the correlation is generally much poorer when applied to realistic ice shelf domains motivate us to seek an alternative approach for predicting changes in grounding-line flux. We therefore propose an adjoint-based method for calculating the sensitivity of the integrated grounding-line flux to local changes in ice shelf geometry. We show that the adjoint-based sensitivity is identical to that deduced from pointwise, diagnostic model perturbation experiments. Based on its much wider applicability and the significant computational savings, we propose that the adjoint-based method is ideally suited for assessing grounding-line flux sensitivity to changes in sub-ice-shelf melting.

Tweaking the Electronic and Optical Properties of \u03b1-MoO3 by Sulphur and Selenium Doping \u2013 a Density Functional Theory Study

First-principles calculations were carried out to understand how anionic isovalent-atom doping affects the electronic structures and optical properties of α-MoO3. The effects of the sulphur and selenium doping at the three unique oxygen sites (Ot, Oa, and Ot) of α-MoO3 were examined. We found that the valence p orbitals of Sulphur/Selenium dopant atoms give rise to impurity bands above the valence band maximum in the band structure of α-MoO3. The number of impurity bands in the doped material depends on the specific doping sites and the local chemical environment of the dopants in MoO3. The impurity bands give rise to the enhanced optical absorptions of the S- and Se-doped MoO3 in the visible and infrared regions. At low local doping concentration, the effects of the dopant sites on the electronic structure of the material are additive, so increasing the doping concentration will enhance the optical absorption properties of the material in the visible and infrared regions. Further increasing the doping concentration will result in a larger gap between the maximum edge of impurity bands and the conduction band minimum, and will undermine the optical absorption in the visible and infrared region. Such effects are caused by the local geometry change at the high local doping concentration with the dopants displaced from the original O sites, so the resulting impurity bands are no long the superpositions of the impurity bands of each individual on-site dopant atom. Switching from S-doping to Se-doping decreases the gap between the maximum edge of the impurity bands and conduction band minimum, and leads to the optical absorption edge red-shifting further into the visible and infrared regions.

Method for volumetric assessment of edge-wear in ceramic-on-ceramic acetabular liners

This paper details a novel method to characterize and quantify edge wear patterns in ceramic-on-ceramic acetabular liners using a roundness measurement machine to measure the post-wear surface. A 3D surface map is produced which encompasses the measured surface covering the wear patch, the uncontrolled edge geometry and form of the bearing surface. The data is analysed to quantify linear penetration and volume. The developed method was applied in a blind study to a set of six 36mm ceramic-on-ceramic acetabular cup liners that were measured and analysed to characterise the edge wear. The in-vitro linear wear penetration ranged from 10μm to 30μm. The computed volumetric wear results obtained from the blind roundness measurement study were compared against the measured gravimetric results indicating a strong correlation between the results (0.9846). This study has also highlighted that measured liners exhibited an area of localised edge wear locates above the bearing surface as well as a smearing effect on the bearing surface caused by debris from edge wear. A study was carried out to test the repeatability of the measurement method and the inter-operator variability of the analysis. The results of the study show a standard deviation for the entire measurement and analysis process of 0.009mm3 for first user and 0.003mm3 for second user over twenty datasets. Hence the method displays high repeatability of the measurement and analysis process between users. This method allows for the delineation of form and wear through the determination of local geometry changes on what is essentially a freeform surface. The edge geometry is only partially controlled from a GD&T perspective and its geometry relative to the bearing surface varies from part-to-part. This method whilst being subjective allows for the determination of wear in this area with a high level of repeatability. However the limitation of this method is that it can only measure 5mm wide band of the liner due to the limited gauge travel range of 2mm

Size of Au-Nanoparticles Supported on Mesostructural Cellular Foams Studied by the Pair Distribution Function Technique

Mesostructural cellular foam (MCF) materials that were modified by Zr, Nb, and Mo incorporation, followed by APTMS (3-aminopropyl-trimethoxysilane) grafting and gold loading were studied using the pair distribution function (PDF) technique. Measurements were focused on changes in gold crystallite sizes and on local geometry changes in the supports. Initially, ex situ prepared samples were investigated at different stages of synthesis and after catalytic oxidation of carbon monoxide. The crystallization and agglomeration of gold species as well as carbon monoxide oxidation were then tracked by in situ high energy diffraction measurements. The influence of metal type (Nb or Mo) and incorporation method in the MCF material on the agglomeration of metallic gold particles during increasing calcination temperature was determined. The structure of MCF materials was preserved during calcination and oxidation of CO and local symmetry of gold particles is not changed under CO oxidation conditions. In samples oxidiz...

Probing Framework-Restricted Metal Axial Ligation and Spin State Patterns in a Post-Synthetically Reduced Iron-Porphyrin-Based Metal-Organic Framework.

An iron-porphyrin-based metal organic framework PCN-222(Fe) is investigated upon postsynthetic reduction with piperidine. Fe K-edge X-ray absorption and Kβ mainline emission spectroscopy measurements reveal the local coordination geometry, oxidation, and spin state changes experienced by the Fe sites upon reaction with this axially coordinating reducing agent. Analysis and fitting of these data confirm the binding pattern predicted by a space-filling model of the structurally constrained pore environments. These results are further supported by UV-vis diffuse reflectance, IR, and resonance Raman spectroscopy data.

Effects of cosmic acceleration on black hole thermodynamics

Direct local impacts of cosmic acceleration upon a black hole are matters of interest. Babichev et al. had published before that the Friedmann equations which are prevailing the part of fluid filled up in the universe to lead (or to be very specific, ‘dominate’) the other constituents of universe and are forcing the universe to undergo present-day accelerating phase (or to lead to violate the strong energy condition and latter the week energy condition), will themselves tell that the rate of change of mass of the central black hole due to such exotic fluid’s accretion will essentially shrink the mass of the black hole. But this is a global impact indeed. The local changes in the space time geometry next to the black hole can be analysed from a modified metric governing the surrounding space time of a black hole. A charged de Sitter black hole solution encircled by quintessence field is chosen for this purpose. Different thermodynamic quantities are analysed for different values of quintessence equation of state parameter, ω q . Specific jumps in the nature of the thermodynamic space near to the quintessence or phantom barrier are noted and physically interpreted as far as possible. Nature of phase transitions and the situations at which these transitions are taking place are also explored. It is determined that before quintessence starts to work ( $\omega_{q}=-0.33>-\frac{1}{3}$ ) it was preferable to have a small unstable black hole followed by a large stable one. But in quintessence ( $-\frac{1}{3}>\omega_{q}>-1$ ), black holes are destined to be unstable large ones pre-quelled by stable/unstable small/intermediate mass black holes.

Role of Suspended Fiber Structural Stiffness and Curvature on Single-Cell Migration, Nucleus Shape, and Focal-Adhesion-Cluster Length

It has been shown that cellular migration, persistence, and associated cytoskeletal arrangement are highly dependent on substrate stiffness (modulus: N/m2 and independent of geometry), but little is known on how cells respond to subtle changes in local geometry and structural stiffness (N/m). Here, using fibers of varying diameter (400, 700, and 1200 nm) and length (1 and 2 mm) deposited over hollow substrates, we demonstrate that single mouse C2C12 cells attached to single suspended fibers form spindle morphologies that are sensitive to fiber mechanical properties. Over a wide range of increasing structural stiffness (2 to 100+ mN/m), cells exhibited decreases in migration speed and average nucleus shape index of ∼57% (from 58 to 25 μm/h) and ∼26% (from 0.78 to 0.58), respectively, whereas the average paxillin focal-adhesion-cluster (FAC, formed at poles) length increased by ∼38% (from 8 to 11 μm). Furthermore, the increase in structural stiffness directly correlates with cellular persistence, with 60% of cells moving in the direction of increasing structural stiffness. At similar average structural stiffness (25 ± 5 mN/m), cells put out longer FAC lengths on smaller diameters, suggesting a conservation of FAC area, and also exhibited higher nucleus shape index and migration speeds on larger-diameter fibers. Interestingly, cells were observed to deform fibers locally or globally through forces applied through the FAC sites and cells undergoing mitosis were found to be attached to the FAC sites by single filamentous tethers. These varied reactions have implications in developmental and disease biology models as they describe a strong dependence of cellular behavior on the cell’s immediate mechanistic environment arising from alignment and geometry of fibers.

Intramolecular surfaces for vicinal proton–proton coupling constants 3JHH

Equations for the intramolecular surfaces of the 3JHH coupling constants in ethane, ethylene, and acetylene are formulated, and the corresponding coefficients are estimated from calculations at the DFT/B3LYP level. The chosen variables are changes in bond lengths, in the torsion angle φ between the coupled protons Ha and Hb, in bond angles, and in dihedral angles. The 3JHH surface of ethane is formulated as an extended Karplus equation with the coefficients of a truncated Fourier series on the torsion angle φ expanded as second-order Taylor series in the chosen variables taking into account the invariance of 3JHH under reflections and rotations of nuclear coordinates. Partial vibrational contributions from linear and square terms corresponding to changes in the geometry of the Ha − Ca − Cb − Hb fragment are important while those from cross terms are small with a few exceptions. The 3JHH surface of ethane is useful to predict contributions to 3JHH from changes in local geometry of derivatives but vibrational contributions are predicted less satisfactorily. The predicted values at the B3LYP/BS2 level of the 3JHH couplings (vibrational contributions at 300 K) from equilibrium geometries are 9.79 (−0.17) for acetylene, and 17.08 (1.93) and 10.73(0.93) for the trans and cis couplings of ethylene.

Modeling and experimental methods to predict oxygen distribution in bone defects following cell transplantation

We have developed a mathematical model that allows simulation of oxygen distribution in a bone defect as a tool to explore the likely effects of local changes in cell concentration, defect size or geometry, local oxygen delivery with oxygen-generating biomaterials (OGBs), and changes in the rate of oxygen consumption by cells within a defect. Experimental data for the oxygen release rate from an OGB and the oxygen consumption rate of a transplanted cell population are incorporated into the model. With these data, model simulations allow prediction of spatiotemporal oxygen concentration within a given defect and the sensitivity of oxygen tension to changes in critical variables. This information may help to minimize the number of experiments in animal models that determine the optimal combinations of cells, scaffolds, and OGBs in the design of current and future bone regeneration strategies. Bone marrow-derived nucleated cell data suggest that oxygen consumption is dependent on oxygen concentration. OGB oxygen release is shown to be a time-dependent function that must be measured for accurate simulation. Simulations quantify the dependency of oxygen gradients in an avascular defect on cell concentration, cell oxygen consumption rate, OGB oxygen generation rate, and OGB geometry.

How Changes in Extracellular Matrix Mechanics and Gene Expression Variability Might Combine to Drive Cancer Progression

Changes in extracellular matrix (ECM) structure or mechanics can actively drive cancer progression; however, the underlying mechanism remains unknown. Here we explore whether this process could be mediated by changes in cell shape that lead to increases in genetic noise, given that both factors have been independently shown to alter gene expression and induce cell fate switching. We do this using a computer simulation model that explores the impact of physical changes in the tissue microenvironment under conditions in which physical deformation of cells increases gene expression variability among genetically identical cells. The model reveals that cancerous tissue growth can be driven by physical changes in the microenvironment: when increases in cell shape variability due to growth-dependent increases in cell packing density enhance gene expression variation, heterogeneous autonomous growth and further structural disorganization can result, thereby driving cancer progression via positive feedback. The model parameters that led to this prediction are consistent with experimental measurements of mammary tissues that spontaneously undergo cancer progression in transgenic C3(1)-SV40Tag female mice, which exhibit enhanced stiffness of mammary ducts, as well as progressive increases in variability of cell-cell relations and associated cell shape changes. These results demonstrate the potential for physical changes in the tissue microenvironment (e.g., altered ECM mechanics) to induce a cancerous phenotype or accelerate cancer progression in a clonal population through local changes in cell geometry and increased phenotypic variability, even in the absence of gene mutation.