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At least 307 records · Page 17

Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception

The vertebrate inner ear, responsible for hearing and balance, is able to sense minute mechanical stimuli originating from an extraordinarily broad range of sound frequencies and intensities or from head movements. Integral to these processes is the tip-link protein complex, which conveys force to open the inner-ear transduction channels that mediate sensory perception. Protocadherin-15 and cadherin-23, two atypically large cadherins with 11 and 27 extracellular cadherin (EC) repeats, are involved in deafness and balance disorders and assemble as parallel homodimers that interact to form the tip link. Here we report the X-ray crystal structure of a protocadherin-15 + cadherin-23 heterotetrameric complex at 2.9-Å resolution, depicting a parallel homodimer of protocadherin-15 EC1-3 molecules forming an antiparallel complex with two cadherin-23 EC1-2 molecules. In addition, we report structures for 10 protocadherin-15 fragments used to build complete high-resolution models of the monomeric protocadherin-15 ectodomain. Molecular dynamics simulations and validated crystal contacts are used to propose models for the complete extracellular protocadherin-15 parallel homodimer and the tip-link bond. Steered molecular dynamics simulations of these models suggest conditions in which a structurally diverse and multimodal protocadherin-15 ectodomain can act as a stiff or soft gating spring. These results reveal the structural determinants of tip-link–mediated inner-ear sensory perception and elucidate protocadherin-15’s structural and adhesive properties relevant in disease.

59 BASIC BIOLOGICAL SCIENCES↗

A theoretical model for lunar surface material thermal conductivity.

This paper presents a theoretical thermal conductivity model for the uppermost layer of lunar surface material under the lunar vacuum environment. The model assumes that the lunar soil can be simulated by spherical particles in contact with each other and that the effective thermal conductivity is a function of depth, temperature, porosity, particle dimension, and mechanical-thermal properties of the solid particles. Two modes of heat transport are considered, conduction and radiation - with emphasis on the contact resistance between particles. The model gives effective conductivity values that compare favorably with the experimental data from lunar surface samples obtained on Apollo 11 and 12 missions.

Khader, M. S.↗

Review of recent studies on nanoscale electrical junctions and contacts: Quantum tunneling, current crowding, and interface engineering

The study of charge carrier transport at nanoscale electrical contacts is crucial for the development of next-generation electronics. In this study, we review recent modeling efforts on quantum tunneling, current crowding, and contact resistance across electrical interfaces with nanometer scale dimensions. A generalized self-consistent model for quantum tunneling induced electron transport in metal–insulator–metal (MIM) junctions is summarized. Rectification of a dissimilar MIM junction is reviewed. A modified two-dimensional (2D) transmission line model is used to investigate the effects of spatially varying specific contact resistivity along the contact length. The model is applied to various types of electrical contacts, including ohmic contacts, MIM junction based tunneling contacts, and 2D-material-based Schottky contacts. Roughness engineering is recently proposed to offer a possible paradigm for reducing the contact resistance of 2D-material-based electrical contacts. Contact interface engineering, which can mitigate current crowding near electrical contacts by spatially designing the interface layer thickness or properties, without requiring an additional material or component, is briefly reviewed. Tunneling engineering is suggested to eliminate severe current crowding in highly conductive ohmic contacts by introducing a thin tunneling layer or gap between the contact members. Furthermore, unsolved problems and challenges are also discussed.

2D materials↗

Io - Energy constraints and plume volcanism

Observational and theoretical considerations, including near-surface energy constraints, suggest a model of Io that features a surface layer of sulfur overlying an active silicate crust. Such a model would imply frequent contact between silicate magma intrusions and the sulfur layer. This contact could produce volcanic plumes driven by high-temperature sulfur vapor. Plumes driven by sulfur vapor meet observational constraints for a wide range of possible conditions, in contrast to the special conditions required for plume generation by SO2. Characteristics of the two models are compared, and it is suggested that high-spatial-resolution infrared radiometry could identify the driving volatile.

Reynolds, R. T.↗

Modeling Spacesuit-Human Interaction for Injury Risk Identification

Performing functional tasks while inside of the space suit introduces additional ergonomic challenges which can lead to musculoskeletal stresses and injuries in astronauts. Computational modeling of the suit-body interaction can be used alongside human-in-the-loop testing to understand and mitigate these risks and potentially improve the work performance. In this work, a static rigid-body model of the human body was integrated with the space suit and the process is described. This model enables prediction of the resulting joint torques and musculoskeletal loading from a simulated extravehicular activity (EVA) task. For representative EVA tasks, joint torque and body angles were used as parameters to predict the muscle strength required to achieve the task, as well as the percentage of the general and astronaut-like population that could achieve that strength demand. Population strength capability can be used as an indicator of the difficulty of a task and the level of injury risk for the given task types and crew anthropometry. The sensitivity of the model to inputs such as body joint location within the space suit and individual anthropometry will also be evaluated. Future work will use a database of3D human body scans and the movements of the body inside the suit during different EVA tasks to identify potential soft tissue contact points. The specific locations and magnitudes of contacts between the body and suit are expected to identify risk of repetitive tissue contact stresses. Overall, this model will provide a new tool to structurally identify the injury risks of EVA tasks and evaluate alternate strategies to reduce injury risk.

Garima Gupta↗

Photon induced $K\Lambda $ production on the proton at $E_{\gamma} < 3$ GeV

The associated photoproduction of $K\Lambda$ from the proton for $E_{\gamma} < 3$ GeV is studied using an isobar model in which the non-resonant contributions corresponding to $s$, $t$, $u$ channel diagrams are obtained from a non-linear sigma model with chiral SU(3) symmetry. The model also predicts a contact term and its coupling strength in a natural way to preserve gauge symmetry. The parameters used are the pion decay constant $f_{\pi}$, vector and axial vector current couplings of the baryon octet in terms of the symmetric and antisymmetric couplings $D$ and $F$. In the non-resonant sector, the model is almost parameter free except a common cut-off parameter $\Lambda_{B}$, to describe the hadronic form factors at the strong kaon-nucleon-hyperon($KN\Lambda$) vertices. In the resonance sector, contribution from the various nucleon resonances($R$) in the $s$ channel, hyperon resonances($Y^{*}$) in the $u$ channel, and the kaon resonances($K^{*}$ and $K_{1}$) in the $t$ channel, which are present in the PDG having spin $\le \frac{3}{2}$ and mass $<2$ GeV with significant branching ratio in $K\Lambda$ decay mode have been considered. In the case of the nucleon resonances($R$), the couplings $\gamma NR$ at the electromagnetic vertices are determined in terms of the helicity amplitudes and the $RK\Lambda$ couplings at the strong vertices are determined by the partial decay width of the resonances($R$) decaying to $K\Lambda$. The strong and the electromagnetic couplings of $u$ and $t$ channel resonances are fitted to reproduce the experimental data of CLAS and SAPHIR. The numerical results are presented for the total and differential scattering cross sections and are compared with the available experimental data from CLAS and SAPHIR as well as with some of the recent theoretical models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Advances in contact algorithms and their application to tires

Currently used techniques for tire contact analysis are reviewed. Discussion focuses on the different techniques used in modeling frictional forces and the treatment of contact conditions. A status report is presented on a new computational strategy for the modeling and analysis of tires, including the solution of the contact problem. The key elements of the proposed strategy are: (1) use of semianalytic mixed finite elements in which the shell variables are represented by Fourier series in the circumferential direction and piecewise polynomials in the meridional direction; (2) use of perturbed Lagrangian formulation for the determination of the contact area and pressure; and (3) application of multilevel iterative procedures and reduction techniques to generate the response of the tire. Numerical results are presented to demonstrate the effectiveness of a proposed procedure for generating the tire response associated with different Fourier harmonics.

Noor, Ahmed K.↗

A constitutive model for sheared dense fiber suspensions

Here we propose a constitutive model to predict the viscosity of fiber suspensions, which undergoes shear thinning, at various volume fractions, aspect ratios, and shear stresses/rates. We calibrate the model using the data from direct numerical simulation and prove the accuracy by predicting experimental measurements from the literature. We use a friction coefficient decreasing with the normal load between the fibers to quantitatively reproduce the experimentally observed shear thinning in fiber suspensions. In this model, the effective normal contact force, which is directly proportional to the bulk shear stress, determines the effective friction coefficient. A rise in the shear stress reduces the effective friction coefficient in the suspension. As a result, the jamming volume fraction increases with the shear stress, resulting in a shear thinning in the suspension viscosity. Moreover, we extend the model to quantify the effects of fiber volume fraction and aspect ratio in the suspension. We calibrate this model using the data from numerical simulations for the rate-controlled shear flow. Once calibrated, we show that the model can be used to predict the relative viscosity for different volume fractions, shear stresses, and aspect ratios. The model predictions are in excellent agreement with the available experimental measurements from the literature. The findings of this study can potentially be used to tune the fiber size and volume fraction for designing the suspension rheology in various applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

New Approach Methodology for Assessing Inhalation Risks of a Contact Respiratory Cytotoxicant: Computational Fluid Dynamics-Based Aerosol Dosimetry Modeling for Cross-Species and In Vitro Comparisons

Regulatory agencies are considering alternative approaches to assessing inhalation toxicity that utilizes in vitro studies with human cells and in silico modeling in lieu of additional animal studies. In support of this goal, computational fluid-particle dynamics models were developed to estimate site-specific deposition of inhaled aerosols containing the fungicide, chlorothalonil, in the rat and human for comparisons to prior rat inhalation studies and new human in vitro studies. Under bioassay conditions, the deposition was predicted to be greatest at the front of the rat nose followed by the anterior transitional epithelium and larynx corresponding to regions most sensitive to local contact irritation and cytotoxicity. For humans, simulations of aerosol deposition covering potential occupational or residential exposures (1–50 µm diameter) were conducted using nasal and oral breathing. Aerosols in the 1–5 µm range readily penetrated the deep region of the human lung following both oral and nasal breathing. Under actual use conditions (aerosol formulations >10 µm), the majority of deposited doses were in the upper conducting airways. Beyond the nose or mouth, the greatest deposition in the pharynx, larynx, trachea, and bronchi was predicted for aerosols in the 10–20 µm size range. Only small amounts of aerosols >20 µm penetrated past the pharyngeal region. Using the ICRP clearance model, local retained tissue dose metrics including maximal concentrations and areas under the curve were calculated for each airway region following repeated occupational exposures. These results are directly comparable with benchmark doses from in vitro toxicity studies in human cells leading to estimated human equivalent concentrations that reduce the reliance on animals for risk assessments.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

A magnetohydrodynamic model of the interaction of the solar wind with the Jovian magnetosphere and a magnetohydrodynamic simulation of the interaction of the solar wind with the out flowing plasma from a comet

A three-dimensional code for a rapidly rotating magnetosphere in which the MHD equations and the Maxwell equations were solved by using the two step Lax Endroff scheme, was developed. Preliminary results were presented at the Fall AGU meeting in San Francisco. The basic simulation model to study the solar wind interactions was adapted to other bodies in addition to Jupiter. Because of the recent comet flybys, a comet was chosen as the first model. The aim was to model the formation of the contact surface and the plasma tail. Later, work was begun on a three-dimensional model which would include the effects of mass loading. This model was designed to study the weak cometary bow shocks observed by the probes to comets Halley and Giacobini-Zinner. The model was successful in reproducing the position and shape of the bow shock which was determined by using observations from the Suisei spacecraft.

Walker, R. J.↗

Impacts of Non-Ideal Back Contact on Capacitance Measurements in CdTe Solar Cells

CdTe solar cells suffer from a non-ideal back contact which can strongly affect the equivalent circuit model and complicate capacitance measurements. Here, five different back contact materials are deposited on identical CdTe absorbers and their influence on capacitance measurements is characterized. A five-element equivalent circuit model is shown to represent a CdTe solar cell with a non-ideal back contact, and capacitance-frequency (C-f) measurements on each sample clearly show the influence of this contact. Capacitance-voltage (C-V) measurements on each sample show the influence of frequency on measured capacitance. In the AlGaOx/Au sample, temperature dependent C-fs show the back barrier height to be 240 meV, and ongoing measurements will give a comparison of back barrier heights for all samples. This study provides insight into the efficacy of various back contacts and highlights potential errors in the interpretation of capacitance measurements due to the presence of the back contact.

cadmium compounds↗

Changes in Hydrogen Concentration and Defect State Density at the Poly-Si/SiOx/c-Si Interface Due to Firing

We determined the density of defect states of poly-Si/SiOx/c-Si junctions featuring a wet chemical interfacial oxide from lifetime measurements using the MarcoPOLO model to calculate recombination and contact resistance in poly-Si/SiOx/c-Si-junctions. In samples that did not receive any hydrogen treatment, the Dit,cSi is about 2 × 1012 cm-2 eV1 before firing and rises to 3–7 × 1012 cm2 eV1 during firing at measured peak temperatures between 620 °C and 863 °C. To address the question of why AlOx/SiNy stacks in contrast to pure SiNy layers for hydrogenation during firing provides better passivation quality, we have measured the hydrogen concentrations at the poly-Si/SiOx/c-Si interface as a function of AlOx layer thickness and compared these to J0 and calculated Dit,c-Si values. We observe an increase of the hydrogen concentration at the SiOx/c-Si interface upon firing as a function of the firing temperature that exceeds the defect concentrations at the interface several times. However, the AlOx layer thickness appears to cause an increase in hydrogen concentration at the SiOx/c-Si interface in these samples rather than exhibiting a hydrogen blocking property.

41 EE - Solar Energy Technologies Office (EE-4S)↗

A teleoperation training simulator with visual and kinesthetic force virtual reality

A force-reflecting teleoperation training simulator with a high-fidelity real-time graphics display has been developed for operator training. A novel feature of this simulator is that it enables the operator to feel contact forces and torques through a force-reflecting controller during the execution of the simulated peg-in-hole task, providing the operator with the feel of visual and kinesthetic force virtual reality. A peg-in-hole task is used in our simulated teleoperation trainer as a generic teleoperation task. A quasi-static analysis of a two-dimensional peg-in-hole task model has been extended to a three-dimensional model analysis to compute contact forces and torques for a virtual realization of kinesthetic force feedback. The simulator allows the user to specify force reflection gains and stiffness (compliance) values of the manipulator hand for both the three translational and the three rotational axes in Cartesian space. Three viewing modes are provided for graphics display: single view, two split views, and stereoscopic view.

Kim, Won S.↗

Modeling of Response of Thermoplastic Composites Under High Energy Impact

This work investigates the response of a thermoplastic panel under high energy ballistic impact. The composite material system is a carbon fiber reinforced low melt semi-crystalline resin TC1225 LMPAEK T700G (T700/LMPAEK3). Several high energy dynamic impact tests were performed where an aluminum projectile impacted various panels at different impact velocities. For this work, the test performed at an impact velocity of 73.2 m/s was investigated. The projectile rebounded upon impact, and the damage to the panel was characterized through ultrasonic and CT-scanning. Response of the panel under impact and the associated damage is discussed. Numerical simulation of the impact process was performed using the LS-DYNA® computer code [1] with a new material model MAT_COMPOSITE_DAMAGE_DGD (MAT 299), a modification over MAT 261 material model in terms of an improved representation of damage coupling and additional capability for strain rate effects. Delaminations were modeled using cohesive zone contact formulation in LS-DYNA®, wherein the mixed-mode fracture is captured via the Benzegaggh-Kenane (B-K) mode-dependent fracture energy interpolation law. Simulation of this impact test demonstrates a good match of results in terms of panel deflection and panel-projectile interactions. The overall extent of delaminations was under-predicted by the simulation. This work forms the basis to model tests performed at higher velocities, involving projectile penetration of panel.

Composite Materials↗

Impacts of Non-Ideal Back Contact on Capacitance Measurements in CdTe Solar Cells

CdTe solar cells suffer from a non-ideal back contact which can strongly affect the equivalent circuit model and complicate capacitance measurements. Here, five different back contact materials are deposited on identical CdTe absorbers and their influence on capacitance measurements is characterized. A five-element equivalent circuit model is shown to represent a CdTe solar cell with a non-ideal back contact, and capacitance-frequency (C-f) measurements on each sample clearly show the influence of this contact. Capacitance-voltage (C-V) measurements on each sample show the influence of frequency on measured capacitance. In the AlGaOx/Au sample, temperature dependent C-fs show the back barrier height to be 240 meV, and ongoing measurements will give a comparison of back barrier heights for all samples. This study provides insight into the efficacy of various back contacts and highlights potential errors in the interpretation of capacitance measurements due to the presence of the back contact.

14 SOLAR ENERGY↗

A test suite for magnetohydrodynamical simulations

A collection is presented of MHD problems that will provide researchers who have interests in modeling MHD phenomena with a battery of tests (a 'test suite') for calibrating their numerical algorithms. Use of these tests will provide a common reference for comparison of different numerical MHD algorithms. The test suite includes both 1D and 2D problems. Taken together, these problems test the abilities of a numerical method to propagate accurately all of the MHD wave families in moving and stationary media, to capture MHD shocks and contact discontinuities, and to model accurately Lorentz force terms in multiple dimensions. An example solution of each test problem is presented. Diagnostic convergence-testing procedures that provide a quantitative evaluation of MHD algorithms are demonstrated.

Stone, James M.↗

Development of a co-anneal process for double-side TOPCon precursor fabricated by ex-situ POCI3 and APCVD boron diffusion

The aim of this study was to develop a simple and industrially attractive co-anneal process to fabricate a high-quality DS-TOPCon precursor with textured n-TOPCon on front and planar p- TOPCon on rear by ex-situ POCI3 and APCVD boron diffusion. This requires only one high temperature anneal with no additional masking steps. Excellent iVOC of 733mV and iFF of ~86% were achieved after SiNX passivation on both sides, prior to contact firing. Our device modeling projects that this precursor in combination with a manufacturing-friendly poly-Si patterning technique on front can enable> 25% DS-TOPCon cells at low-cost.

APCVD↗

Dynamic condensation model of rolling droplets for high-performance heat transfer

Condensation is a critical process during vapor-liquid phase change in relation to heat transfer. To achieve a high heat transfer coefficient, the classical model for dropwise condensation requires a low contact angle and low contact angle hysteresis, failing to align with experimental observations on a hydrophobic and slippery quasi-liquid surface (QLS). Here, we report a dynamic condensation model that incorporates high-frequency condensate removal by emphasizing the role of timescale during droplet growth and shedding. Our model agrees well with the experimental result that a surface with high contact angle and low contact angle hysteresis promotes condensation, particularly during rolling-propelled condensate removal. Particle image velocimetry reveals that rolling droplets on a hydrophobic QLS exhibit 4-fold higher shedding speeds than the sliding droplets on a hydrophilic QLS, leading to significant heat transfer enhancement. This work deepens our theoretical understanding of condensation heat transfer and provides advanced physics-informed design rationales for water and energy systems.

42 ENGINEERING↗