Distribution-free uncertainty quantification for kernel methods by gradient perturbations

Machine Learning - We propose a data-driven approach to quantify the uncertainty of models constructed by kernel methods. Our approach minimizes the needed distributional assumptions, hence,...     

Unconventional Charge Density Wave Arising from Electron–Phonon Interaction

We report of a theoretical study on quasi-one dimensional unconventional charge density wave (UCDW) driven by electron–phonon interaction. Within mean field theory, we find that the wavevector dependence of the coupling leads to a momentum dependent single particle gap on the Fermi surface. The presence of small energy single particle excitations around the gap nodes significantly changes the optical conductivity compared to the conventional CDW result. In addition to that, the collective phase excitation arising from fluctuation of the order parameter leads to further qualitative changes of the conductivity and results in an effective mass that is nonmonotonic in temperature.      

Using biochemically purified water at coke plants

The use of biochemically purified water in place of industrial-grade water for the exhaust-gas scrubbers in the drying department of the coal-enrichment shop and for irrigation of the cyclone washers in the coke shops at OAO ZSMK is considered. It is found that biochemically purified water may be used for 100% of the water needs in coke production. Using biochemically purified water in the dust-trapping equipment, the coaland coke-dust content of the atmospheric emissions may be reduced by 24.5%. Additional purification of wastewater by adsorption on coke and coal dust is possible.     

Stabilization and termination of severe accidents in LWRs

The last 20 years of research on severe accident safety for light water reactors (LWRs) has resolved a number of issues. However, the issue of melt/debris coolability is still unresolved. At stake is the stabilization and termination of a severe accident, if ever it would occur. The stabilization and termination can be established only through the coolability of the melt or the particulate debris, which are found in-vessel, or ex-vessel, depending upon the extent of the progression of a postulated accident.This paper will review the state of the art of coolability during a severe accident for the current light water reactors (LWRs). It will also review whether the accident management actions will be effective in terminating a postulated severe accident. The attention paid to the stabilization and coolability in future LWRs will be discussed and the design solutions will be evaluated.     

Degradation of PCB in different soils by inoculated Alcaligenes xylosoxidans

The degradation of PCB in soils by the biphenyl-utilising strain Alcaligenes xylosoxidans was studied in different soil types. In addition to the congener specificity, significant differences in the degradation of PCB by the strain in the different soil types were observed. Efficiency of degradation was generally better in sterilised soils, but the differences were not as significant as the differences observed between different soil types. These results indicate that the degradation of PCB is probably related not only to the capabilities of the strain employed and quality and amount of competitive species inhabiting the soils, but also to the soil sorption of the PCB congeners. Degradation is faster in the soils containing an intermediate amount of organic carbon with a high portion of total and aromatic carbon in humic acids.     

Consequences of different cutting regimes on regrowth and nutrient stoichiometry of Sparganium erectum L. and Potamogeton natans L.

Aquatic vegetation forms an essential component in freshwater ecosystems but due to changed environmental and anthropogenic conditions often needs management to reduce nuisance for human land‐use. In this paper, the authors looked at the regrowth of two macrophyte species (Potamogeton natans and Sparganium erectum) in two lowland rivers under different cutting treatments. After an initial cross‐sectional transect was manually removed from bank to bank at the beginning of the growth season, a monthly repetitive removal of biomass in plots on that transect was done during the rest of the growth season (testing frequency of mowing). Additional new transects were also cut in subsequent months (testing timing of mowing). Finally, biomass was repetitively removed in plots in those additional transects too (testing frequency of mowing × timing of mowing). The biomass at the end of the growth season was analysed for C, N, P, and Si. It was demonstrated that timing and frequency of vegetation cutting has an important effect on the capacity and rate of species' recovery and therefore on the efficiency of the applied management. Nutrient stoichiometry of the regrown biomass was directly affected by cutting. Caused by differences in the applied timing and frequency of the cutting, C/N and N/P ratios and BSi concentrations were highly variable. Yet, overall, there was a clear tendency towards a higher C/N ratio and BSi concentration and lower N/P ratio in biomass that recovered after cutting. This human impact on the quantity and quality of autochthonous organic matter may have knock‐on effects on the decomposers food web and mineralization process.     

Towards an Unbiased Comparison of CC,BCC, and FCC Lattices in Terms of Prealiasing

In the literature on optimal regular volume sampling, the Body‐Centered Cubic (BCC) lattice has been proven to be optimal for sampling spherically band‐limited signals above the Nyquist limit. On the other hand, if the sampling frequency is below the Nyquist limit, the Face‐Centered Cubic (FCC) lattice was demonstrated to be optimal in reducing the prealiasing effect. In this paper, we confirm that the FCC lattice is indeed optimal in this sense in a certain interval of the sampling frequency. By theoretically estimating the prealiasing error in a realistic range of the sampling frequency, we show that in other frequency intervals, the BCC lattice and even the traditional Cartesian Cubic (CC) lattice are expected to minimize the prealiasing. The BCC lattice is superior over the FCC lattice if the sampling frequency is not significantly below the Nyquist limit. Interestingly, if the original signal is drastically undersampled, the CC lattice is expected to provide the lowest prealiasing error. Additionally, we give a comprehensible clarification that the sampling efficiency of the FCC lattice is lower than that of the BCC lattice. Although this is a well‐known fact, the exact percentage has been erroneously reported in the literature. Furthermore, for the sake of an unbiased comparison, we propose to rotate the Marschner‐Lobb test signal such that an undue advantage is not given to either lattice.     

Ceramics for Prosthetic Hip and Knee Joint Replacement

The most commonly used bearing couple in prosthetic hip or knee joint replacements consists of a cobalt–chrome (CoCr) metal alloy articulating against ultrahigh-molecular-weight polyethylene. Ceramics have been used as an alternative to metal-on-polyethylene in joint replacement surgery of arthritic hips and knees since the 1970s. In prosthetic hip and knee bearings, ceramic surfaces offer a major benefit of drastically reduced wear rates and excellent long-term biocompatibility, which can increase the longevity of prosthetic hip and knee joints. This benefit is important clinically because hip and knee replacement has become a very common surgical procedure, particularly in the United States, and because these procedures are being increasingly performed in younger patients who place greater demands on the prosthetic bearings. However, ceramics are brittle and the risk of catastrophic bearing failure in vivo , while rare, is a major concern. Improvements in material quality, manufacturing methods, and implant design have resulted in a drastic reduction of the incidence of such failures, so that modern ceramic bearings are safe and reliable if used with components of proven design and durability. Future material improvements are actively being investigated to reduce the risk of ceramic-bearing failures even further. The purpose of this article is to review the structure, properties, applications, and limitations of the ceramics that have been used in orthopedic bearings, and to describe the new ceramic composite materials and surface treatments that will be available for joint replacement surgery in the near future.     

Heterogeneous asymmetric reactions. 23. Enantioselective hydrogenation of ethyl pyruvate over cinchonine- and α-isocinchonine-modified platinum catalysts

The enantioselective hydrogenation of ethyl pyruvate to (S)-ethyl lactate over cinchonine- and -isocinchonine-modified Pt/Al₂O₃ catalysts was studied as a function of modifier concentration and reaction temperature. The maximum enantioselectivities obtained under the applied mild conditions were 89% ee using cinchonine (0.014 mmoldm^–3, 1 bar H₂, 23°C, 6% AcOH in toluene), and 76% ee in the case of -isocinchonine (0.14 mmoldm^–3, 1 bar H₂, –10°C, 6% AcOH in toluene). Since -isocinchonine of rigid structure exists only in anti-open conformation these data provide additional experimental evidence to support the former suggestion concerning the dominating role of anti-open conformation in these cinchona-modified enantioselective hydrogenations.     

Study on the electrical conductivity and morphology of porous polypyrrole layers prepared electrochemically in the presence of pyridinium chlorochromate

The electrical conductivity and morphology of thick (up to 3 mm) porous polypyrrole (PPy) layers produced electrochemically from pyrrole in acetonitrile (ACN) solutions have been studied. The electrical conductivity of pressed porous layers ranges from 1 to 10 Scm^–1, which is about one order of magnitude less than that in films which were prepared under similar conditions but without PnClCr. Analysis of the temperature dependence of conductivity has confirmed the major role of hopping in relation to tunnelling in charge transport inside the PPy layers even at lower temperatures. Scanning electron microscopy (SEM) showed a globular structure, which is different from the usual cauliflower-like structure of PPy films prepared without any oxidizing agent. Globular particles of about 1–3 m diameter have been found under a thin smooth crust on the electrode side of the sample. Globular particles form linked chain-like or larger round formations poorly filling the space. Closely packed fibrils of about 20 nm diameter and over 100 nm in length were found inside the aggregates.