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Publisher Copyright: © 2021 The Authors. Molecular Ecology Resources published by John Wiley & Sons Ltd. To associate specimens identified by molecular characters to other biological knowledge, we need reference sequences annotated by Linnaean taxonomy. In this study, we (1) report the creation of a comprehensive reference library of DNA barcodes for the arthropods of an entire country (Finland), (2) publish this library, and (3) deliver a new identification tool for insects and spiders, as based on this resource. The reference library contains mtDNA COI barcodes for 11,275 (43%) of 26,437 arthropod species known from Finland, including 10,811 (45%) of 23,956 insect species. To quantify the improvement in identification accuracy enabled by the current reference library, we ran 1000 Finnish insect and spider species through the Barcode of Life Data system (BOLD) identification engine. Of these, 91% were correctly assigned to a unique species when compared to the new reference library alone, 85% were correctly identified when compared to BOLD with the new material included, and 75% with the new material excluded. To capitalize on this resource, we used the new reference material to train a probabilistic taxonomic assignment tool, FinPROTAX, scoring high success. For the full-length barcode region, the accuracy of taxonomic assignments at the level of classes, orders, families, subfamilies, tribes, genera, and species reached 99.9%, 99.9%, 99.8%, 99.7%, 99.4%, 96.8%, and 88.5%, respectively. The FinBOL arthropod reference library and FinPROTAX are available through the Finnish Biodiversity Information Facility (www.laji.fi) at https://laji.fi/en/theme/protax. Overall, the FinBOL investment represents a massive capacity-transfer from the taxonomic community of Finland to all sectors of society.

We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. First, realistic samples containing graphene/h-BN GBs with different tilt angles are generated using the phase-field crystal (PFC) model developed recently [P. Hirvonen \textit{et al.}, Phys. Rev. B \textbf{100}, 165412 (2019)] that captures slow diffusive relaxation inaccessible to molecular dynamics (MD) simulations. Then, large-scale MD simulations using the efficient GPUMD package are performed to assess heat transport and rectification properties across the GBs. We find that lattice mismatch between the graphene and h-BN sheets plays a less important role in determining the interfacial thermal conductance as compared to the tilt angle. In addition, we find no significant thermal rectification effects for these GBs., 8 pages, 8 figures

Grain boundary triple junctions are a key structural element in polycrystalline materials. They are involved in the formation of microstructures and can influence the mechanical and electronic properties of materials. In this work we study the structure and energetics of triple junctions in graphene using a multiscale modelling approach based on combining the phase field crystal approach with classical molecular dynamics simulations and quantum-mechanical density functional theory calculations. We focus on the atomic structure and formation energy of the triple junctions as a function of the misorientation between the adjacent grains. We find that the triple junctions in graphene consist mostly of five-fold and seven-fold carbon rings. Most importantly, in addition to positive triple junction formation energies we also find a significant number of orientations for which the formation energy is negative.

Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their proportions allows optimizing these materials to specific requirements. The wide adaptability comes with a cost of large parameter space making it hard to experimentally test all the possibilities. Instead, efficient computational modelling is needed. However, large range of relevant time and length scales related to physics of polycrystalline materials poses a challenge for computational studies. To this end, we present an efficient and flexible phase-field crystal model to describe the atomic configurations of multiple atomic species and phases coexisting in the same physical domain. We extensively benchmark the model for two-dimensional binary systems in terms of their elastic properties and phase boundary configurations and their energetics. As a concrete example, we demonstrate modelling lateral heterostructures of graphene and hexagonal boron nitride. We consider both idealized bicrystals and large-scale systems with random phase distributions. We find consistent relative elastic moduli and lattice constants, as well as realistic continuous interfaces and faceted crystal shapes. Zigzag-oriented interfaces are observed to display the lowest formation energy., Comment: 17 pages, 13 figures

We use a phase field crystal model to generate large-scale bicrystalline and polycrystalline single-layer hexagonal boron nitride (h-BN) samples and employ molecular dynamics (MD) simulations with the Tersoff many-body potential to study their heat transport properties. The Kapitza thermal resistance across individual h-BN grain boundaries is calculated using the inhomogeneous nonequilibrium MD method. The resistance displays strong dependence on the tilt angle, the line tension and the defect density of the grain boundaries. We also calculate the thermal conductivity of pristine h-BN and polycrystalline h-BN with different grain sizes using an efficient homogeneous nonequilibrium MD method. The in-plane and the out-of-plane (flexural) phonons exhibit different grain size scalings of the thermal conductivity in polycrystalline h-BN and the extracted Kapitza conductance is close to that of large-tilt-angle grain boundaries in bicrystals., 12 pages, 9 figures, 2 tables, bicrystalline and polycrystalline samples available

While the microscopic structure of defected solid crystalline materials has significant impact on their physical properties, efficient and accurate determination of a given polycrystalline microstructure remains a challenge. In this paper, we present a highly generalizable and reliable variational method to achieve this goal for two-dimensional crystalline and quasicrystalline materials. The method is benchmarked and optimized successfully using a variety of large-scale systems of defected solids, including periodic structures and quasicrystalline symmetries to quantify their microstructural characteristics, e.g., grain size and lattice misorientation distributions. We find that many microstructural properties show universal features independent of the underlying symmetries.

Grain boundaries in graphene are inherent in wafer-scale samples prepared by chemical vapor deposition. They can strongly influence the mechanical properties and electronic and heat transport in graphene. In this work, we employ extensive molecular dynamics simulations to study thermal transport in large suspended polycrystalline graphene samples. Samples of different controlled grain sizes are prepared by a recently developed efficient multiscale approach based on the phase field crystal model. In contrast to previous works, our results show that the scaling of the thermal conductivity with the grain size implies bimodal behaviour with two effective Kapitza lengths. The scaling is dominated by the out-of-plane (flexural) phonons with a Kapitza length that is an order of magnitude larger than that of the in-plane phonons. We also show that in order to get quantitative agreement with the most recent experiments, quantum corrections need to be applied to both the Kapitza conductance of grain boundaries and the thermal conductivity of pristine graphene and the corresponding Kapitza lengths must be renormalized accordingly., Comment: Accepted to Nano Lett.; Numerical samples and computer codes available

We study heat transport across individual grain boundaries in suspended monolayer graphene using extensive classical molecular dynamics (MD) simulations. We construct bicrystalline graphene samples containing grain boundaries with symmetric tilt angles using the two-dimensional phase field crystal method and then relax the samples with MD. The corresponding Kapitza resistances are then computed using nonequilibrium MD simulations. We find that the Kapitza resistance depends strongly on the tilt angle and shows a clear correlation with the average density of defects in a given grain boundary, but is not strongly correlated with the grain boundary line tension. We also show that quantum effects are significant in quantitative determination of the Kapitza resistance by applying the mode-by-mode quantum correction to the classical MD data. The corrected data are in good agreement with quantum mechanical Landauer-B\"utticker calculations., Comment: 8 pages, 7 figures

Two-dimensional materials have unusual phonon structures due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to study heat transport in such materials, conventional formalisms treat the phonon dynamics isotropically. Here, we decompose the microscopic heat current in atomistic simulations into in-plane and out-of-plane components, corresponding to the in-plane and out-of-plane phonon dynamics, respectively. This decomposition allows for direct computation of the corresponding thermal conductivity components in two-dimensional materials. We apply this decomposition to study heat transport in suspended graphene, using both equilibrium and non-equilibrium molecular dynamics simulations. We show that the flexural component is responsible for about two thirds of the total thermal conductivity in unstrained graphene, and the acoustic flexural component is responsible for the logarithmic divergence of the conductivity when a sufficiently large tensile strain is applied., 12 pages, 9 figures

A comprehensive study is presented for the influence of misfit strain, adhesion strength, and lattice symmetry on the complex Moiré patterns that form in ultrathin films of honeycomb symmetry adsorbed on compact triangular or honeycomb substrates. The method used is based on a complex Ginzburg-Landau model of the film that incorporates elastic strain energy and dislocations. The results indicate that different symmetries of the heteroepitaxial systems lead to distinct types of domain wall networks and phase transitions among various surface Moiré patterns and superstructures. More specifically, the results show a dramatic difference between the phase diagrams that emerge when a honeycomb film is adsorbed on substrates of honeycomb versus triangular symmetry. It is also shown that in the small deformation limit, the complex Ginzburg-Landau model reduces to a two-dimensional sine-Gordon free energy form. This free energy can be solved exactly for one dimensional patterns and reveals the role of domains walls and their crossings in determining the nature of the phase diagrams.

The efficacy and tolerability of nitroglycerin (NTG) ointment were studied in 80 male patients with severe angina pectoris. Two symptom-limited exercise tests were performed on successive days after application of an ointment containing 15 mg NTG or a placebo (P) ointment. The patients were assigned to 4 groups. The study was conducted in a double-blind, cross-over manner. The total amount of work performed was higher in all groups on NTG (46-70%) compared to P ointment. The difference was statistically significant (p less than 0.001) at all points of time from 0.5 to 7 hours. The ST segment depression in ECG at the end of the exercise test was slightly greater on P than on NTG, but the difference was statistically significant only in the 3-hour group (p less than 0.01). The frequencies of headache and dizziness were 35% and 16%, respectively, on NTG. Eight patients (10%) reported that headache was severe enough to prevent regular use of NTG ointment. NTG ointment is effective, has a long duration of action and is relatively well tolerated by patients with severe angina pectoris.

In this paper the authors present a next generation measurement system for interfacial mechanical testing of especially atomic layer deposited (ALD) thin films. SiO2 microspheres were embedded in 100 and 300 nm thick ALD TiO2 and Al2O3, deposited at 110 °C, 200 °C and 300 °C on a silicon substrate. The embedded microspheres were detached using a fully programmable semi-automatic microrobotic assembly station employed to carry out the lateral pushing and detaching force F (μN) measurement. The area of interfacial fracture A (μm2) was measured using scanning electron microscopy and digital image analysis to calculate critical stress of interfacial fracture σ (MPa). Work W (J) and energy release rate G (J m−2) of interfacial fracture were also calculated from the measurement results. Interfacial fracture from the film-substrate interface occurred only for TiO2 deposited at 200 °C which had a crystalline structure with the biggest grain size, signifying that for all of the other samples, film adhesion was excellent, and significantly better than film cohesion. Quantitatively this means that thin film interfacial adhesion to the substrate was also higher than the values of the critical stresses and the measured energy release rates. Interfacial toughness seems to be related to film thickness and crystallinity in the case of TiO2, but with Al2O3 the interfacial toughness seems to increase with the deposition temperature. The method presented in this paper is generic, and can be applied for the evaluation of interfacial mechanical properties, such as adhesion, between any various film-substrate-sphere system of choice.

The Hough Transform (HT) is a popular method for detecting curve segments in an image. A software package, the Houghtool, is proposed to calculate the HT. Several methods for line detection are implemented in the package. These include new HT techniques such as probabilistic approaches which use random sampling of the input points. The aim of the Houghtool is to provide general tools for the design of new algorithms and to provide solutions to specific applications. The software design is flexible to allow user extension of the tools provided. A graphical user interface, the XHoughtool, is provided for the visualization of the HT calculation.

A new and efficient version of the Hough transform for curve detection, the Randomized Hough Transform (RHT), has been recently suggested. The RHT selects n pixels from an edge image by random sampling to solve n parameters of a curve and then accumulates only one cell in a parameter space. In this paper, the RHT is related to other recent developments of the Hough transform. Hough transform methods are divided into two categories: probabilistic and non-probabilistic methods. An overview of these variants is given. Some novel extensions of the RHT are proposed to improve the RHT for complex and noisy images. These new versions of the RHT, called the Dynamic RHT, and the Window RHT with its variants, use local information of the edge image. They apply the RHT process to a limited neighbourhood of edge pixels. Tests in line detection with synthetic and real-world images demonstrate the high speed and low memory usage of the new extensions, as compared both to the basic RHT and other versions of the Hough transform.

An approach for estimating the distribution of soot particle dimensions from electron microscope images is studied. We have implemented simple image-analytical methods that produce an equivalent diameter distribution which can be compared with the corresponding distribution acquired via physical measurements. In comparison with manual object detection with conventional image processing software our method is time-saving and efficient. The shape of the particles emitted from the motor under different loads is affected by phenomena in exhaust dilution or release to air. Particle shape has a significant effect on its harmfulness to health. The researchers are also interested in knowing the actual particle size distribution to be able to improve catalyzer functionality. Engine exhaust particle emissions are often analyzed by methods based on the physical properties of soot particles, and assumptions about their size and shape. Our method provides data for refining these results. The implemented graphical user interface is semi-automatic and allows the user to remove erroneous results from the resulting thresholded image before the analysis. Then the task is to calculate the properties of interest over the particle population. We have written a toolbox with simple functions that realize the semi-automated analysis and the user interface for easy operation.

BACKGROUND Clinical studies have demonstrated the benefit of lowering cholesterol in decreasing coronary complications. These results need to be implemented in clinical practice, where an important barrier are the attitudes of physicians. DESIGN General practitioners in the city of Helsinki were asked to respond to two questionnaires sent to them by post 12 months apart (1996 and 1997); 284 responses were received in 1996 and 258 in 1997. METHODS In addition to brief questions aimed to characterize the responding physician, the questionnaire included four examples of patients: (1) middle-aged man without, or (2) with coronary heart disease (CHD); (3) 70-year-old man with a history of stroke; (4) 70-year-old women with CHD. The physicians were asked at what level of serum low-density-lipoprotein (LDL) cholesterol they usually initiate drug therapy. Comparisons were made longitudinally between 1996 and 1997, as well as between different patients. Analyses are based on the responses of those physicians who reported that they treat atherosclerotic patients (241 and 237 in 1996 and 1997, respectively). RESULTS In case 1 (primary prevention), 40.1% of general practitioners in 1996 compared with 52.4% in 1997 (difference +12.3, 95% CI +3.2(-)+20.9, P < 0.01) reported that they would initiate drug therapy at the LDL cholesterol level < 5.0 mmol/l. In case 2 (secondary prevention), 42.0% in 1996 and 54.8 in 1997 (difference +12.8, 95% CI +4.0(-)+21.8, P < 0.01) would initiate drug therapy at the LDL cholesterol level < 4.0 mmol/l. In case 3 (70 year man with stroke), 13.8% in 1996 compared with 30.4% in 1997 (difference +16.6, 95% CI +9.4(-)+24.0, P < 0.01) would initiate drug therapy at the LDL cholesterol level < 4.0 mmol/l. In case 4 (70 year old woman with CHD) 12.8% in 1996 compared with 34.2% in 1997 (difference +21.4%, 95% CI + 13.9(-)+28.7, P < 0.01) would initiate drug therapy at the LDL cholesterol level < 4.0 mmol/l. The physicians' attitudes were significantly more active towards LDL cholesterol lowering both in 1996 and 1997 in case 2 compared with case 1, case 3 or case 4. No difference was observed between case 3 and case 4. CONCLUSIONS Between 1996 and 1997 the attitudes of general practitioners towards lowering LDL cholesterol have become significantly more active in all four patient categories. However, the attitudes are still not optimal concerning coronary patients and especially older atherosclerotic patients.

Seit Jahren steht die Alterssicherung in der Bundesrepublik Deutschland im Mittelpunkt sozialpolitischer Diskussionen. ‚Alterssicherung bei unterschiedlichen familialen Lebensformen‘ betrifft allerdings einen selten thematisierten Aspekt der Diskussion. Sich andernde demographische Proportionen und ein Wandel in der Familienstandsstruktur machen es aber notwendig, Alterseinkommen nicht allein beispielsweise nach dem Geschlecht zu untersuchen, sondern auch zu prufen, inwieweit der Familienstand einen Einflus auf die Einkommenslage im Alter hat.

Similar economic pressures on the United States, Sweden, and West Germany in the 1970s and 1980s elicited different policies for disabled workers, including those temporarily or partially disabled. Swedish program aimed first at providing rehabilitation or subsidized jobs, though older workers later often received income maintenance stipends; West Germans relied on income supports, early paid retirements, and job quotas to abet disabled citizens. Contrariwise, American policies limited aid to the partially disabled to veterans' and welfare benefits, and weakly encouraged return to the labor force. It remains unclear whether the economy's upsurge from 1984 to 1989 proportionately boosted the well-being of Americans with disabilities.

Background. This study examined the effect of simultaneous supplementation of extracellular buffer sodium bicarbonate (SB) and intracellular buffer beta-alanine (BA) on maximal sprint swimming. Methods. Thirteen competitive male swimmers completed 4 different treatments (placebo [PL], SB, BA + PL, and BA + SB) in a crossover procedure. PL or SB supplementation (0.3 g/kg body weight) was ingested 60 min before two maximal 100-m freestyle swims that were performed with a passive recovery of 12-min between each swim. Because of the known long washout period for carnosine, four weeks of BA supplementation (4.8 g per day) was started after the first week of PL or SB supplementation and performance testing. Results. The first maximal swims were similar, but the increase in time of the second versus the first 100-m swimming time was 1.5 s more (p < 0.05) in PL than in SB. Blood pH values were significantly (p < 0.05) greater in the SB and in the BA + SB groups compared to the PL and BA + PL values. There were no differences in peak blood lactate between the treatments. Conclusion. Supplementing with SB prior to performing maximal sprint swimming with repetitions under 60 s improves performance. However, co-supplementation with SB and BA did not confer any added benefit on maximal swim performance. peerReviewed