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Simulated assessment of light transport through ischaemic skin flaps

Currently, free flaps and pedicled flaps are assessed for reperfusion in post-operative care using colour, capillary refill, temperature, texture and Doppler signal (if available). While these techniques are effective, they are prone to error due to their qualitative nature. In this research, we explore using different wavelengths of light to quantify the response of ischaemic tissue. The assessment provides us with indicators that are key to our goal of developing a point-of-care diagnostics device, capable of observing reduced perfusion quantitatively. We set up a detailed optical model of the layers of the skin. The layers of the model are given appropriate optical properties of the tissue, with due consideration of melanin and haemoglobin concentrations. We simulate 24 models of healthy, perfused tissue and perfusion-deprived tissue to assess the responses when illuminated with visible and near-infrared wavelengths of light. In addition to detailed fluence maps of photon propagation, we propose a simple mathematical model to assess the differential propagation of photons in tissue; the optical reperfusion factor (ORF). Our results show clear advantages of using light at longer wavelengths (red, near-infrared) and the inferences drawn from the simulations hold significant clinical relevance. The simulated scenarios and results consolidate the belief of a multi-wavelength, point-of-care diagnostics device and inform its design for quantifying blood flow in transplanted tissue. The modelling approach is applicable beyond the current research, wherein other medical conditions that can be mathematically represented in the skin can be investigated. Through these, additional inferences and approaches to other point-of-care devices can be realised.

physics.med-ph↗

Inverted structure perovskite solar cells: A theoretical study

We analysed perovskite CH3NH3PbI3-xClx inverted planner structure solar cell with nickel oxide (NiO) and spiro-MeOTAD as hole conductors. This structure is free from electron transport layer. The thickness is optimized for NiO and spiro-MeOTAD hole conducting materials and the devices do not exhibit any significant variation for both hole transport materials. The back metal contact work function is varied for NiO hole conductor and observed that Ni and Co metals may be suitable back contacts for efficient carrier dynamics. The solar photovoltaic performance showed a linear decrease in efficiency with increasing temperature. The electron affinity and band gap of transparent conducting oxide and NiO layers are varied to understand their impact on conduction and valence band offsets. A range of suitable band gap and electron affinity values are found essential for efficient device performance.

physics.app-ph↗

Effect of nano-carbon dispersions on signal in silicon-based sensor structure with photoelectrical transducer principle

We identified different nano-carbon species such as graphene nanoplatelets, graphite flakes and carbon nanotubes dispersed in N-methyl-2-pyrrolidone using a novel sensor structure based on a "deep" silicon barrier working as a photoelectrical transducer. Each nano-carbon particle has specific signature in both 2D photocurrent distribution and photocurrent dependences on bias changing surface band-bending. Additionally, all nano-carbon particles have characteristic features in the time-dependent evolution of photocurrent. The obtained results can be explained by the influence of nano-carbon molecules' local electric field on the recombination parameters of defect centers on the silicon surface.

physics.app-ph↗

Controlled oxygen plasma treatment of single-walled carbon nanotube films improves osteoblast cells attachment and enhances their proliferation

The effects of oxidative treatment of single-walled carbon nanotubes (SWCNTs) on the adhesion and proliferation of human osteoblasts (SAOS-2) were investigated. The surface properties of SWCNTs after oxygen plasma treatment were characterised by contact angle measurement, scanning electron microscopy and Raman spectroscopy. The immunofluorescent staining of vinculin, actin filaments and nuclei was used to probe cell adhesion and growth on SWCNT films. Our results show that adhesion and proliferation of human osteoblasts cultivated on SWCNT films indeed depends on the degree of an oxidative treatment. As an optimal procedure was found the treatment with oxygen plasma for 5 min. In the latter case the osteoblasts form a confluent layer with pronounced focal adhesions throughout the entire cell body. The optimal conditions compromise the effect of hydrophilic character of SWCNT films and the level of damage of SWCNT surface.

physics.bio-ph↗

N-, P-, As-triphenylene-graphdiyne: Strong and stable 2D semiconductors with outstanding capacities as anodes for Li-ion batteries

Since the first report of graphdiyne nanomembranes synthesis in 2010, different novel graphdiyne nanosheets have been fabricated. In a latest experimental advance, triphenylene-graphdiyne (TpG), a novel two-dimensional (2D) material was fabricated using the liquid/liquid interfacial method. In this study, we employed extensive first-principles simulations to investigate the mechanical/failure, thermal stability, electronic and optical properties of single-layer TpG. In addition, we predicted and explored the properties of nitrogenated-, phosphorated- and arsenicated-TpG monolayers. Our results reveal that TpG, N-TpG, P-TpG and As-TpG nanosheets can exhibit outstanding thermal stability. These nanomembranes moreover were found to yield linear elasticity with considerable tensile strengths. Notably, it was predicted that monolayer TpG, As-TpG, P-TpG and N-TpG show semiconducting electronic characters with direct band-gaps of 1.94 eV, 0.88 eV, 1.54 eV and 1.91 eV, respectively, along with highly attractive optical properties. We particularly analyzed the application prospect of these novel 2D materials as anodes for Li-ion batteries. Remarkably, P-TpG and N-TpG nanosheets were predicted to yield ultrahigh charge capacities of 1979 mAh/g and 2664 mAh/g, respectively, for Li-ions storage. The acquired results by this work suggest TpG based nanomembranes as highly promising candidates for the design of flexible nanoelectronics and energy storage devices.

physics.comp-ph↗

Carbon ablators with porosity designed for enhanced aerospace thermal protection

Porous carbon ablators offer cost-effective thermal protection for aerospace vehicles during re-entry into planetary atmospheres. However, the exploration of more distant planets requires the development of ablators that are able to withstand stronger thermal radiation conditions. Here, we report the development of bio-inspired porous carbon insulators with pore sizes that are deliberately tuned to enhance heat-shielding performance by increasing scattering of high-temperature thermal radiation. Pore size intervals that promote scattering are first estimated using an established model for the radiative contribution to the thermal conductivity of porous insulators. On the basis of this theoretical analysis, we identify a polymer additive that enables the formation of pores in the desired size range through the polymerization-induced phase separation of a mixture of phenolic resin and ethylene glycol. Optical and electron microscopy, porosimetry and mechanical tests are used to characterize the structure and properties of porous insulators prepared with different resin formulations. Insulators with pore sizes in the optimal scattering range reduce laser-induced damage of the porous structures by up to 42%, thus offering a promising and simple route for the fabrication of carbon ablators for enhanced thermal protection at high temperatures.

physics.app-ph↗

A phase-field formulation for dynamic cohesive fracture

We extend a phase-field/gradient damage formulation for cohesive fracture to the dynamic case. The model is characterized by a regularized fracture energy that is linear in the damage field, as well as non-polynomial degradation functions. Two categories of degradation functions are examined, and a process to derive a given degradation function based on a local stress-strain response in the cohesive zone is presented. The resulting model is characterized by a linear elastic regime prior to the onset of damage, and controlled strain-softening thereafter. The governing equations are derived according to macro- and microforce balance theories, naturally accounting for the irreversible nature of the fracture process by introducing suitable constraints for the kinetics of the underlying microstructural changes. The model is complemented by an efficient staggered solution scheme based on an augmented Lagrangian method. Numerical examples demonstrate that the proposed model is a robust and effective method for simulating cohesive crack propagation, with particular emphasis on dynamic fracture.

physics.app-ph↗

Modelling Of Hydrothermal Aging Of Short Flax Fiber Reinforced Composites

As a contribution to the prediction of the evolutionary behavior of biocomposites in service conditions, this study focused on the simulation of the hydrothermal aging of short natural fiber reinforced composites made by extrusion/injection molding. We endeavored to model the reversible modifications of the behavior of PLA and PLA/flax composites when immersed in water at different temperatures (20, 35 and 50 {\textdegree}C). A numerical model accounting for the heterogeneous mechanisms involved during aging such as water diffusion and the resulting swelling and plasticizing of polymers was implemented. Simulated data proved to be in perfect accordance with experimental results as long as no irreversible mechanism was occurring. The deviations of the simulated data from experimental results were limited at 35{\textdegree}C but significant at 50{\textdegree}C. Finally, the influence of moisture on the local elastic modulus of flax fibers was inferred thanks to the Halpin-Kardos homogenization model.

physics.app-ph↗

Nonlocal integral thermoelasticity: a thermodynamic framework for functionally graded beams

An effective nonlocal integral formulation for functionally graded Bernoulli-Euler beams in nonisothermal environment is developed. Both thermal and mechanical loadings are accounted for. The proposed model, of stress-driven integral type, is shown to be governed by a thermodynamically consistent differential problem with proper constitutive boundary conditions. The new thermoelastic strategy is illustrated by investigating a set of examples. It is demonstrated that in nonisothermal statically indeterminate problems rather complex structural behaviours can appear and that both the shift of the neutral surface and nonlocality have a dominating influence at small-scales.

physics.app-ph↗

Modeling the effect of microstructure on elastic wave propagation in platelet-reinforced composites and ceramics

Dense ceramics are irreplaceable in applications requiring high mechanical stiffness, chemical and temperature resistance and low weight. To improve their toughness, ceramics can be reinforced with elongated inclusions. Recent manufacturing strategies have been developed to control the orientations of disc-like micro-particles in polymeric and ceramic matrices and to build periodic microstructures. Given the infinite number of possible microstructures available, modeling tools are required to select the potentially best design. Periodic microstructures can be involved in elastic wave scattering to dissipate mechanical energy from vibrations. In this paper, a model is proposed to determine the frequency bandgaps associated to periodic architectures in composites and ceramics and the influence of microstructural parameters are investigated. The results are used to define guidelines for the future fabrication of hard bulk ceramic materials that combine traditional ceramic properties with high vibration resistance.

physics.app-ph↗

Experimental and Numerical Analysis of Strain Gradient in Tensile Concrete Prisms Reinforced with Multiple Bars

This work is a continuation of the ongoing research on deformation behavior of reinforced concrete elements under tension. The previous studies have revealed that deformation behaviors of elements reinforced with multiple bars and the traditional prismatic members reinforced with a center bar are essentially different. The latter layout, though typical of laboratory specimens, could not represent the norm of structures in real-life. Thus, a new test methodology to investigate the strain distribution in concrete prismatic members reinforced with multiple bars subjected to axial tension is devised. Prismatic concrete specimens with different reinforcement configurations were fabricated and tested using the proposed setup. Deformation behavior of the specimens is modeled with a tailor-designed bond modeling approach for rigorous finite element analysis. It is revealed that the average deformations of the concrete could be different from the prevailing approach of average deformations of the steel, and are dependent on the reinforcement configurations. Therefore, the efficiency of concrete in tension should be carefully taken into account for rational design of structural elements. The study endorses promising abilities of finite element technique as a versatile analysis tool whose full potential is to be revealed with the advent of computer hardware.

cond-mat.mtrl-sci↗

Relativistic and Electromagnetic Molecular Dynamics Simulations for a Carbon-Gold Nanotube Accelerator

Relativistic molecular dynamics are described in ultra-high temperature and MeV energy behaviors. In strongly-coupled systems, the Coulomb electrostatic field is collected in the infinite space, and the electromagnetic fields are added in the coordinate space. Separation of the electromagnetic and electrostatic electric fields is a good approximation for short time periods. For a numerical application, a nanotube accelerator under an $E \times B$ pulse is studied. Positive ions are accelerated in the parallel direction, whereas the electrons proceed in the perpendicular direction. Rapid expansion to infinite space and short-range electromagnetic radiation cooperate for large intensities. At $10^{22}\rm{W/cm}^{2}$, pulsation oscillations for gold and carbon ions flare up and electrons acquire the relativistic velocities. They are observed in relativistic molecular dynamics simulation.

physics.app-ph↗

MOSFET Characterization and Modeling at Cryogenic Temperatures

Cryogenic CMOS technology (cryo-CMOS) offers a scalable solution for quantum device interface fabrication. Several previous works have studied the characterization of CMOS technology at cryogenic temperatures for various process nodes. However, CMOS characteristics for various width/length (W/L) ratios and under different bias conditions still require further research. In addition, no previous works have produced an integrated modeling process for cryo-CMOS technology. In this paper, the results of characterization of Semiconductor Manufacturing International Corporation (SMIC) 0.18 μm CMOS technology at cryogenic temperatures (varying from 300 K to 4.2 K) are presented. Measurements of thin- and thick-oxide NMOS and PMOS devices with different W/L ratios are taken under four distinct bias conditions and at different temperatures. The temperature-dependent parameters are revised and an advanced CMOS model is proposed based on BSIM3v3 at the liquid nitrogen temperature (LNT). The proposed model ensures precision at the LNT and is valid for use in an industrial tape-out process. The proposed method presents a calibration approach for BSIM3v3 that is available at different temperature intervals.

physics.app-ph↗

Flux compensation for SQUID-detected Magnetic Resonance Force Microscopy

One of the major challenges in performing SQUID-detected Magnetic Resonance Force Microscopy (MRFM) at milliKelvin temperatures is the crosstalk between the radiofrequency (RF) pulses used for the spin manipulation and the SQUID-based detection mechanism. Here we present an approach based on balancing the flux crosstalk using an on-chip feedback coil coupled to the SQUID. This approach does not require any additional components near the location of the sample, and can therefore be applied to any SQUID-based detection scheme to cancel predictable RF interference. We demonstrate the effectiveness of our approach by showing that we can almost completely negate flux crosstalk with an amplitude of up to several $Φ_0$. This technical achievement allows for complicated magnetic resonance protocols to be performed at temperatures below 50 mK.

physics.app-ph↗

Flow-electrode capacitive deionization enables continuous and energy-efficient brine concentration

Many industrial and agricultural applications require the treatment of water streams containing high concentrations of ionic species for closing material cycles. High concentration factors are often desired, but hard to achieve with established thermal or membrane-based water treatment technologies at low energy consumptions. Capacitive deionization processes are normally assumed as relevant for the treatment of low salinity solutions only. Flow-electrode capacitive deionization (FCDI), on the other hand, is an electrically driven water desalination technology, which allows the continuous desalination and concentration of saline water streams even at elevated salinities. Ions are adsorbed electrostatically in pumpable carbon flow electrodes, which enable a range of new process designs. In this article, it is shown that continuously operated FCDI systems can be applied for the treatment of salt brines. Concentrations of up to 291.5~g/L NaCl were reached in the concentrate product stream. Based on this, FCDI is a promising technology for brine treatment and salt recovery. Additionally, a reduction of the energy demand by more than 70% is demonstrated by introducing multiple cell pairs into a continuous FCDI system. While the economic feasibility is not investigated here, the results show that FCDI systems may compete with established technologies regarding their energy demand.

physics.app-ph↗

Modeling discontinuous potential distributions using the finite volume method, and application to liquid metal batteries

The electrical potential in a battery jumps at each electrode-electrolyte interface. We present a model for computing three-dimensional current and potential distributions, which accounts for such internal voltage jumps. Within the framework of the finite volume method we discretize the Laplace and gradient operators such that they account for internal jump boundary conditions. After implementing a simple battery model in OpenFOAM we validate it using an analytical test case, and show its capabilities by simulating the current distribution and discharge curve of a Li||Bi liquid metal battery.

physics.app-ph↗

Heat Generation and a Conservation Law for Chemical Energy in Lithium-ion Batteries

Present theories of irreversible energy losses and heat generation within Li-ion cells are unsatisfactory because they are not compatible with energy conservation. This work aims to provide a consistent theoretical treatment of energy transport and losses in such devices. An energy conservation law is derived from the Doyle-Fuller-Newman (DFN) model of a Li-ion cell using a rigorous mathematical approach. The resulting law allows irreversible chemical energy losses to be located to seven different regions of the cell, namely: (i) the electrolyte, (ii) the anode particles, (iii) the cathode particles, (iv) the solid parts of the anode (ohmic losses), (v) the solid parts of the cathode (ohmic losses), (vi) the surfaces of the anode particles (polarisation losses), and (vii) the surfaces of the cathode particles (polarisation losses). Numerical solutions to the DFN model are used to validate the conservation law in the cases of a drive cycle and constant current discharges, and to compare the energy losses occurring in different locations. It is indicated how cell design can be improved, for a specified set of operating conditions, by comparing the magnitude of energy losses in the different regions of the cell.

physics.app-ph↗

Performance analysis of heat and energy recovery ventilators using exergy analysis and nonequilibrium thermodynamics

The increased attention to energy savings has contributed to more widespread use of energy recovery systems for building ventilation. We investigate the efficiency of such systems under different outdoor conditions using exergy analysis and nonequilibrium thermodynamics. This analysis makes it possible to assess performance in terms of loss of work potential, to account for the different quality of energy and to localize and compare the different sources of loss in the system. It also enables the use of exergy efficiency as a single performance parameter, in contrast to the several indicators that are commonly used. These more common indicators are difficult to compare and relate to each other. Further, since there is no obvious optimal trade-off between them, it is challenging to combine them and develop a global performance indicator that allows for a sensible comparison of different technical solutions and different types of recovery devices. We illustrate the concepts by applying the analysis to a heat recovery ventilator (HRV) and to a structurally similar membrane energy recovery ventilator (MERV) that can exchange both heat and moisture. We show how the exergy efficiency can be used to identify the range of operating conditions for which the recovery ventilator is not beneficial as the energy cost is greater than the energy recovery. This is not trivial using traditional performance parameters, yet it is a natural outcome of exergy analysis. In addition, we identify the mechanism by which work potential is lost, which can help the eventual optimization of both the recovery process and the auxiliary systems present in ventilation systems.

physics.app-ph↗