NICE—An explicit numerical scheme for efficient integration of nonlinear constitutive equations

The paper presents a simple but efficient new numerical scheme for the integration of nonlinear constitutive equations. Although it can be used for the integration of a system of algebraic and differential equations in general, the scheme is primarily developed for use with the direct solution methods for solving boundary value problems, e.g. explicit dynamic analysis in ABAQUS/Explicit. In the developed explicit scheme, where no iteration is required, the implementation simplicity of the forward-Euler scheme and the accuracy of the backward-Euler scheme are successfully combined. The properties of the proposed NICE scheme, which was also implemented into ABAQUS/Explicit via User Material Subroutine (VUMAT) interface platform, are compared with the properties of the classical forward-Euler scheme and backward-Euler scheme. For this purpose two highly nonlinear examples, with the von Mises and GTN material model considered, have been studied. The accuracy of the new scheme is demonstrated to be at least of the same level as experienced by the backward-Euler scheme, if we compare them on the condition of the same CPU time consumption. Besides, the simplicity of the NICE scheme, which is due to implementation similarity with the classical forward-Euler scheme, is its great Advantage.     

Wave interactions and wave-structure scattering in nonlinear patterned waveguides

The nonlinear interactions between discrete optical solitons that propagate in different regimes of diffraction, and the nonlinear scattering of dispersive waves by local optical potentials, were studied experimentally. It is well known in electromagnetism that when linear coherent waves meet they interfere without interactions. Linear waves also scatter through local optical structures without exchanging any power with guided and anti-guided modes of these structures. When a focusing Kerr nonlinearity is present, linearly inhibited phenomena, which break these rules, are shown to exist. Our studies were performed with Silica glass and semiconductor AlGaAs nonlinear planar modulated waveguides, excited by ultra-short pulses in the near infrared spectral regime.     

A feasibility study for electrical impedance tomography as a means to monitor tissue electroporation for molecular medicine

Molecular medicine involves the introduction of macromolecules, such as drugs or gene constructs, into specific cells of the body. Electroporation, which uses electric pulses to permeate cell membranes, is a method for achieving this. However, as with other molecular medicine procedures, it lacks a real-time mechanism to detect and control which cells have been affected. We propose and demonstrate, via computer simulation, that electrical impedance tomography has the potential for detecting and imaging electroporation of cells in tissue in real-time, thereby providing feedback for controlling electroporation.     

Direct electron transfer of cytochrome P450 2B4 at electrodes modified with nonionic detergent and colloidal clay nanoparticles

A method for construction of biosensors with membranous cytochrome P450 isoenzymes was developed based on clay/detergent/protein mixed films. Thin films of sodium montmorillonite colloid with incorporated cytochrome P450 2B4 (CYP2B4) with nonionic detergent were prepared on glassy carbon electrodes. The modified electrodes were electrochemically characterized, and bioelectrocatalytic reactions were followed. CYP2B4 can be reduced fast on clay-modified glassy carbon electrodes in the presence of the nonionic detergent Tween 80. In anaerobic solutions, reversible oxidation and reduction is obtained with a formal potential between -0.292 and -0.305 V vs Ag/AgCl 1 M KCl depending on the preparation of the biosensor. In air-saturated solution, bioelectrocatalytic reduction currents can be obtained with the CYP2B4-modified electrode on addition of typical substrates such as aminopyrine and benzphetamine. This reaction was suppressed when methyrapone, an inhibitor of P450 reactions, was present. Measurement of product formation also indicates the bioelectrocatalysis by CYP2B4.     

Chemical dosimetry system for criticality accidents

Ruder Boskovi? Institute (RBI) criticality dosimetry system consists of a chemical dosimetry system for measuring the total (neutron + gamma) dose, and a thermoluminescent (TL) dosimetry system for a separate determination of the gamma ray component. The use of the chemical dosemeter solution chlorobenzene-ethanol-trimethylpentane (CET) is based on the radiolytic formation of hydrochloric acid, which protonates a pH indicator, thymolsulphonphthalein. The high molar absorptivity of its red form at 552 nm is responsible for a high sensitivity of the system: doses in the range 0.2-15 Gy can be measured. The dosemeter has been designed as a glass ampoule filled with the CET solution and inserted into a pen-shaped plastic holder. For dose determinations, a newly constructed optoelectronic reader has been used. The RBI team took part in the International Intercomparison of Criticality Accident Dosimetry Systems at the SILENE Reactor, Valduc, June 2002, with the CET dosimetry system. For gamma ray dose determination TLD-700 TL detectors were used. The results obtained with CET dosemeter show very good agreement with the reference values.     

Computation of steady and time-dependent temperature distribution for building elements: A general three-dimensional solution

A computational method of temperature distribution calculation for building elements in two- and three-dimensional time-dependent heat flow problems is developed with a general approximate solution using, as a numerical approach, the finite difference method. An analytical evaluation method of the accuracy of calculations is developed. The method described was compared with experimental values and good correspondence was obtained. The time-dependent study which is presented includes thermal resistance and inertia (heat capacity) of the components' materials and different geometric compositions.     

Comparison of Two Enzyme Sequences for a Novel L-Malate Biosensor

Two novel amperometric biosensors for the determination of L -malic acid in food samples have been compared. Both sensors make use of a Clark-type O₂-electrode but differ in the enzymes used. The first sensor is composed of malate dehydrogenase (decarboxylating), also known as ‘malic enzyme’ (MDH(dec.), EC 1.1.1.40) and pyruvate oxidase (POP, EC 1.2.3.3). It covers a linear detection range from 1 μmol dm⁻³ to 0·9 mmol dm⁻³ L -malate, with a response time of 1·5 min (t₉₀) and a relative standard deviation of 3·5%. Measurements with real samples offered a good correlation with the standard enzymatic assay (difference ±7%). Stored at room temperature, the response of the sensor is constant for 8 days. The second biosensor is based on the three enzyme sequence malate dehydrogenase (MDH, EC 1.1.1.37), oxaloacetate decarboxylase (OAC, EC 4.1.1.3) and pyruvate oxidase (POP, EC 1.2.3.3). It has a non-linear calibration curve. Concentrations from 5 μmol dm⁻³ to 1 mmol dm⁻³ L -malate can be detected, within a response time of 1·5 min and with a relative standard deviation of 20%. The lower detection limit for L -malate is 2 μmol dm⁻³. The response is constant for 10 days when the sensor is stored at room temperature.     

Overcoming Anode Instability in Solid-State Batteries through Control of the Lithium Metal Microstructure

Enabling the lithium metal anode (LMA) in solid-state batteries (SSBs) is the key to developing high energy density battery technologies. However, maintaining a stable electrode–electrolyte interface presents a critical challenge to high cycling rate and prolonged cycle life. One such issue is the interfacial pore formation in LMA during stripping. To overcome this, either higher stack pressure or binary lithium alloy anodes are used. Herein, it is shown that fine-grained (d = 20 µm) polycrystalline LMA can avoid pore formation by exploiting the microstructural dependence of the creep rates. In a symmetric cell set-up, i.e., LiǀLi_6.25Al_0.25La₃Zr₂O₁₂(LLZO)ǀLi, fine-grained LMA achieves > 11.0 mAh cm⁻² compared to ≈ 3.6 mAh cm⁻² for coarse-grained LMA (d = 295 µm) at 0.1 mA cm⁻² and at moderate stress of 2.0 MPa. Smaller diffusion lengths (≈ 20 µm) and higher diffusivity pathway along dislocations (D_d ≈ 10⁻⁷ cm² s⁻¹), generated during cell fabrication, result in enhanced viscoplastic deformation in fine-grained polycrystalline LMA. The electrochemical performances corroborate well with estimated creep rates. Thus, microstructural control of LMA can significantly reduce the required stack pressure during stripping. These results are particularly relevant for “anode-free” SSBs wherein both the microstructure and the mechanical state of the lithium are critical parameters.     

Engineered superoxide dismutase monomers for superoxide biosensor applications

Because of its high reaction rate and specificity, the enzyme superoxide dismutase (SOD) offers great potential for the sensitive quantification of superoxide radicals in electrochemical biosensors. In this work, monomeric mutants of human Cu,Zn-SOD were engineered to contain one or two additional cysteine residues, which could be used to bind the protein to gold surfaces, thus making the use of promotor molecules unnecessary. Six mutants were successfully designed, expressed, and purified. All mutants bound directly to unmodified gold surfaces via the sulfur of the cysteine residues and showed a quasi-reversible, direct electron transfer to the electrode. Thermodynamic and kinetic parameters of the electron transfer were characterized and showed only slight variations between the individual mutants. For one of the mutants, the interaction with the superoxide radical was studied in more detail. For both partial reactions of the dismutation, an interaction between protein and radical could be shown. In an amperometric biosensorial approach, the SOD-mutant electrode was successfully applied for the detection of superoxide radicals. In the oxidation region, the electrode surpassed the sensitivity of the commonly used cytochrome c electrodes by approximately 1 order of magnitude while not being limited by interferences, but the electrode did not fully reach the sensitivity of dimeric Cu,Zn-SOD immobilized on MPA-modified gold.