A surrogate-based cooperative optimization framework for computationally expensive black-box problems

Optimization and Engineering - Most parallel surrogate-based optimization algorithms focus only on the mechanisms for generating multiple updating points in each cycle, and rather less attention...     

Toward Diffusion Measurements of Colloidal Nanoparticles in Biological Environments by Nuclear Magnetic Resonance

Protein corona formation on the surface of nanoparticles (NPs) is observed in situ by measuring diffusion coefficients of the NPs under the presence of proteins with a ¹⁹F nuclear magnetic resonance (NMR) based methodology. Formation of a protein corona reduces the diffusion coefficient of the NPs, based on an increase in their effective hydrodynamic radii. With this methodology it is demonstrated that the apparent dissociation constant of protein–NP complexes may vary over at least nine orders of magnitude for different types of proteins, in line with the Vroman effect. Using this methodology, the interaction between one type of protein and one type of nanoparticle can be studied quantitatively. Due to the NMR‐based detection, this methodology has no interference by absorption/scattering effects, by which optical detection schemes are affected. By using the potential of the NMR chemical shift, the detection of multiple ¹⁹F signals simultaneously opens the possibility to study the diffusion of several NPs at the same time. The ¹⁹F labeling of the NPs has negligible effect on their acute toxicity and moderate effect on NPs uptake by cells.     

Fatigue and fracture analysis of a seven‐wire stainless steel strand under axial and bending loads

Fatigue failure of cables and strands is a common and complex problem. Failure is typically caused by different combinations of time‐variable bending and axial forces. In addition to these loads, contact stresses between wires may play an important role in the fatigue failure of cables. The present work aims to provide deep insight into the fatigue failure of a seven‐wire stainless steel strand subjected to a combination of variable axial and bending loads. To avoid side effects in the analysis, fatigue failure of the strand close to the clamps is prevented. Several tests were performed with a new device specifically designed to avoid failure near the clamps. Thus, failure is always produced at the middle length of the specimen. Test simulations were performed by employing the finite element method. The numerical results were validated via comparisons with experimental data. Finally, life prediction curves were obtained.     

Modeling polycrystalline materials with elongated grains

A novel algorithm to reproduce the arrangement of grains in polycrystalline materials was recently published by the authors. In this original approach, a dense package of circles (or spheres) with the same distribution as the grains is generated to produce a set of Voronoi cells that are later modified to Laguerre cells representing the original structure. This algorithm was successfully applied to materials with somewhat equidimensional grains; however, it fails for long-shaped grains. In this paper, modifications are provided in order to overcome these drawbacks. This is accomplished by moving each vertex of the Voronoi cells in such a way that the vertex should be equidistant from the particles with respect to the Euclidean distance. The algorithm is applied to packages of ellipses and spherocylinders in 2D. An example for a package of spheres is also provided to illustrate the application for a simple 3D case. The adherence between the generated packages and the corresponding tessellations is verified by means of the Jaccard coefficient (J). Several packages are generated randomly and the distribution of J coefficients is investigated. The obtained values satisfy the theoretical restraints and the quality of the proposed algorithm is statistically validated.     

Inkjet Printed Nanopatterned Aptamer‐Based Sensors for Improved Optical Detection of Foodborne Pathogens

The increasing incidence of infectious outbreaks from contaminated food and water supply continues imposing a global burden for food safety, creating a market demand for on‐site, disposable, easy‐to‐use, and cost‐efficient devices. Despite of the rapid growth of biosensors field and the generation of breakthrough technologies, more than 80% of the platforms developed at lab‐scale never will get to meet the market. This work aims to provide a cost‐efficient, reliable, and repeatable approach for the detection of foodborne pathogens in real samples. For the first time an optimized inkjet printing platform is proposed taking advantage of a carefully controlled nanopatterning of novel carboxyl‐functionalized aptameric ink on a nitrocellulose substrate for the highly efficient detection of E. coli O157:H7 (25 colony forming units (CFU) mL^?1 in pure culture and 233 CFU mL^?1 in ground beef) demonstrating the ability to control the variation within ±1 SD for at least 75% of the data collected even at very low concentrations. From the best of the knowledge this work reports the lowest limit of detection of the state of the art for paper‐based optical detection of E. coli O157:H7, with enough evidence (p > 0.05) to prove its high specificity at genus, species, strain, and serotype level.     

Influence of Oxygen on the Tribomechanical Properties of Single Crystals of YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7−<Emphasis Type="Italic">δ</Emphasis></Subscript>

This paper reports a study on the mechanical and tribological properties of ab- and a (b) c?planes of YBa₂Cu₃O_7?δ single crystals. The single crystals were grown using a CuO-BaO self-flux method. The oxygenation effect on the mechanical and tribological properties of ab- and a (b) c?planes is reported. For the ab- plane, the hardness and elastic modulus were around 6 and 50 GPa, respectively. In this case, significant differences were not observed among the hardness and elastic modulus at different oxygenation states. However, the hardness and elastic modulus for as-grown and oxygenated YBa₂Cu₃O_7?δ single crystals were different from that of the a (b) c?plane, and were observed to be slightly higher for the as-grown than for the oxygenated samples. For as-grown and oxygenated samples, we observed hardness values around 4.7 and 2.0 GPa, respectively. Regarding the elastic modulus, the values were 75 and 40 GPa, respectively. The indentation fracture toughness values on the ab- plane for the as-grown and oxygenated YBa₂Cu₃O_7?δ single crystal were 3.7 ± 1.2 and 2.9 ± 1.2 MPa m^1/2, respectively. For the ab- plane, the scratch resistance of the as-grown sample was higher than that of the oxygenated sample and the scratches under load were deeper for the oxygenated sample. As regards the a (b) c?plane, the scar features were seemingly constant through all the scratch lengths and the scratches under load were deeper and larger for the oxygenated than that for the as-grown sample.     

Quaternary 2D Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap

Alloying/doping in 2D material is important due to wide range bandgap tunability. Increasing the number of components would increase the degree of freedom which can provide more flexibility in tuning the bandgap and also reduces the growth temperature. Here, synthesis of quaternary alloys Mo_x W_1?x S_2y Se_{2(1?y )} is reported using chemical vapor deposition. The composition of alloys is tuned by changing the growth temperatures. As a result, the bandgap can be tuned which varies from 1.61 to 1.85 eV. The detailed theoretical calculation supports the experimental observation and shows a possibility of wide tunability of bandgap.     

Engineering Cell Surface Function with DNA Origami

A specific and reversible method is reported to engineer cell‐membrane function by embedding DNA‐origami nanodevices onto the cell surface. Robust membrane functionalization across epithelial, mesenchymal, and nonadherent immune cells is achieved with DNA nanoplatforms that enable functions including the construction of higher‐order DNA assemblies at the cell surface and programed cell–cell adhesion between homotypic and heterotypic cells via sequence‐specific DNA hybridization. It is anticipated that integration of DNA‐origami nanodevices can transform the cell membrane into an engineered material that can mimic, manipulate, and measure biophysical and biochemical function within the plasma membrane of living cells.     

Microgravity Effects on Chronoamperometric Ammonia Oxidation Reaction at Platinum Nanoparticles on Modified Mesoporous Carbon Supports

The effect of microgravity on the electrochemical oxidation of ammonia at platinum nanoparticles supported on modified mesoporous carbons (MPC) with three different pore diameters (64, 100, and 137 Å) was studied via the chronoamperometric technique in a half-cell. The catalysts were prepared by a H₂ reductive process of PtCl\(_{6}^{\mathrm {4-}}\) in presence of the mesoporous carbon support materials. A microgravity environment was obtained with an average gravity of less than 0.02 g created aboard an airplane performing parabolic maneuvers. Results show the chronoamperommetry of the ammonia oxidation reaction in 1.0 M NH₄OH at 0.60 V vs. RHE under microgravity conditions. The current density, in all three catalysts, decreased while in microgravity conditions when compared to ground based experiments. Under microgravity, all three catalysts yielded a decrease in ammonia oxidation reaction current density between 25 to 63% versus terrestrial experimental results, in time scales between 1 and 15 s. The Pt catalyst prepared with mesoporous carbon of 137 Å porous showed the smallest changes, between 25 to 48%. Nanostructuring catalyst materials have an effect on the level of current density decrease under microgravity conditions.     

Lithium-Battery Anode Gains Additional Functionality for Neuromorphic Computing through Metal–Insulator Phase Separation

Specialized hardware for neural networks requires materials with tunable symmetry, retention, and speed at low power consumption. The study proposes lithium titanates, originally developed as Li-ion battery anode materials, as promising candidates for memristive-based neuromorphic computing hardware. By using ex- and in operando spectroscopy to monitor the lithium filling and emptying of structural positions during electrochemical measurements, the study also investigates the controlled formation of a metallic phase (Li₇Ti₅O₁₂) percolating through an insulating medium (Li₄Ti₅O₁₂) with no volume changes under voltage bias, thereby controlling the spatially averaged conductivity of the film device. A theoretical model to explain the observed hysteretic switching behavior based on electrochemical nonequilibrium thermodynamics is presented, in which the metal-insulator transition results from electrically driven phase separation of Li₄Ti₅O₁₂ and Li₇Ti₅O₁₂. Ability of highly lithiated phase of Li₇Ti₅O₁₂ for Deep Neural Network applications is reported, given the large retentions and symmetry, and opportunity for the low lithiated phase of Li₄Ti₅O₁₂ toward Spiking Neural Network applications, due to the shorter retention and large resistance changes. The findings pave the way for lithium oxides to enable thin-film memristive devices with adjustable symmetry and retention.