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Search results for: yolk-shell structure
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Machine learning-based prediction of residual drift and seismic risk assessment of steel moment-resisting frames considering soil-structure interaction
PublicationNowadays, due to improvements in seismic codes and computational devices, retrofitting buildings is an important topic, in which, permanent deformation of buildings, known as Residual Interstory Drift Ratio (RIDR), plays a crucial role. To provide an accurate yet reliable prediction model, 32 improved Machine Learning (ML) algorithms were considered using the Python software to investigate the best method for estimating Maximum...
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Cellulosic bionanocomposites based on acrylonitrile butadiene rubber and Cuscuta reflexa: adjusting structure-properties balance for higher performance
PublicationDesign and manufacture of cellulosic nanocomposites with acceptable performance is in the period of a transition from fantasy to reality. Typically, cellulosic nanofillers reveal poor compatibility with polymer matrices. Thus, adjusting the balance between structure and properties of cellulosic bionanocomposites by careful selection of parent ingredients is the first priority. Herein, we incorporated Cuscuta reflexa derived cellulose...
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Application of MARKAL model to optimisation of electricity generation structure in Poland in the long-term time horizon. Part II. Model and forecasts assumptions
PublicationIn this paper, the next in a series of publications on the subject, assumptions are presented of a power system development model in terms of electricity generation technology infrastructure in Poland, in the long term perspective until 2060. The model is based on the mathematical structure of the MARKAL optimization package. Among other things developed are a forecast of the final demand for electricity and heat, the current...
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Dependence between Ionic Liquid Structure and Mechanism of Visible-Light-Induced Activity of TiO2 Obtained by Ionic-Liquid-Assisted Solvothermal Synthesis
PublicationBecause of the tremendous structural diversityof ionic liquids (ILs), simple transfer of observations performed for one IL used for IL-TiO2 preparation on different samples is not possible. Therefore, four ionic liquids, all containing distinct nitrogen-bearing organic cations (pyridinium, pyrrolidinium, ammonium, imidazolium), were used for the first time for the preparation of IL-TiO2 composites. The role of the individual IL...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Structure, Physicochemical and Biological Properties of an Aqua (2,2′,2′′-Nitrilotriacetato)-oxidovanadium(IV) Salt with 4-Methylpyridinium Cation
PublicationThe crystal structure of a nitrilotriacetate (nta) oxidovanadi-um(IV) salt with 4-methylpyridinium cation, [4-Me(Py)H]+, of [4-Me(Py)H][VO(nta)(H2O)] stoichiometry was determined. The com-plex comprises a discrete mononuclear [VO(nta)(H2O)]–coordinationentity that can be rarely found among other known compounds con-taining nitrilotriacetate oxidovanadium(IV) moieties. The complex wascharacterized by spectroscopic (IR and EPR) methods,...
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Viscoplastic damage analysis of plate-shell structures subjected to impact loading = Lepkoplastyczna analiza zniszczenia konstrukcji płytowo-powłokowych pod wpływem obciążeń dynamicznych
PublicationW pracy przedstawiono rozważania nad analizą zachowania się konstrukcji płytowo-powłokowych pod wpływem obciążeń dynamicznych wzbudzanych przez eksplozje mieszanki gazowej. Zagadnienie to jest poddane badaniom ukierunkowanym na aspekty mechaniczne, głównie na przewidywanie ciągliwego zniszczenia. W pierwszej kolejności zaprezentowano przegląd literatury oraz opisano teorie, które w dzisiejszych czasach są najczęściej stosowane...
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Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks
PublicationParamount spin-crossover properties of the 3D-Hoffman metalorganic framework (MOF) [Fe(pz)2Pt(CN)4] are generally described on the basis of the ligand field theory, which provides adequate insight into theoretical and simulation analysis of spintronic complexes. However, the ligand field approximation does not take into account the 3D periodicity of the actual complex lattice and surface effects and therefore cannot predict a full-scale...
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Progress in non-isocyanate polyurethanes synthesized from cyclic carbonate intermediates and di- or polyamines in the context of structure–properties relationship and from an environmental point of view
PublicationCommercially, polyurethanes are produced by the reaction of diisocyanates, polyols (polyester or polyether) and low molecular weight chain extender. Toxicity, moisture sensitivity and phosgene-based synthesis of diisocyanates resulted in investigations focused on obtaining the non-isocyanate polyurethanes (NIPUs). This work presents the review of synthesis and structure–properties relationship of non-isocyanate polyurethanes obtained...
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Fluid structure interaction study of non-Newtonian Casson fluid in a bifurcated channel having stenosis with elastic walls
PublicationFluid–structure interaction (FSI) gained a huge attention of scientists and researchers due to its applications in biomedical and mechanical engineering. One of the most important applications of FSI is to study the elastic wall behavior of stenotic arteries. Blood is the suspension of various cells characterized by shear thinning, yield stress, and viscoelastic qualities that can be assessed by using non-Newtonian models. In this...
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Chemical Structure and Thermal Properties versus Accelerated Aging of Bio-Based Poly(ether-urethanes) with Modified Hard Segments
PublicationAging of polymers is a natural process that occurs during their usage and storage. Predicting the lifetime of polymers is a crucial aspect that should be considered at the design stage. In this paper, a series of bio-based thermoplastic poly(ether-urethane) elastomers (bio-TPUs) with modified hard segments were synthesized and investigated to understand the structural and property changes triggered by accelerated aging. The bio-TPUs...
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Effect of composition on the thermal properties and structure of M-Al-Si-O-N glasses, M = Na, Mg, Ca
PublicationThe primary objective of this study is to explore the relationship between the composition, structure, and thermal characteristics of M-Al-Si-O-N glasses, with M representing sodium (Na), magnesium (Mg), or calcium (Ca). The glasses were prepared by melting in a quartz crucible at 1650 °C and AlN precursor (powder) was utilized as a nitrogen source. The measured thermal properties studied were glass transition temperature (Tg),...
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Effect of bio-based components on the chemical structure, thermal stability and mechanical properties of green thermoplastic polyurethane elastomers
PublicationIt seems to be obvious that conditions changes during polyols synthesis have impact on the polyols properties. Even the chemical formula is the same or similar, physicochemical properties and also molecular weight of polyols might be different and are significant in term of future polyurethanes properties and processing. In this work, fully bio-based poly(propylene succinate)s synthesized at different temperature conditions were...
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Structural Variety of Cobalt(II), Nickel(II), Zinc(II), and Cadmium(II) Complexes with 4,4′-Azopyridine: Synthesis, Structure and Luminescence Properties
PublicationSelf-assembled bi- and polymetallic complexes of CoII, NiII, ZnII, and CdII were obtained by the reaction of 4,4′-azopyridine (azpy) with metal tri-tert-butoxysilanethiolates (Co, 1; Cd, 2), acetylacetonates (Ni, 3; Zn, 4), and acetates (Cd, 5). All compounds were characterized by single-crystal X-ray structure analysis, elemental analysis, FTIR spectroscopy, and thermogravimetry. Complexes 1, 2 and 4, 5 exhibit diverse structural...
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Kriging-assisted hybrid reliability design and optimization of offshore wind turbine support structure based on a portfolio allocation strategy
PublicationIn recent years, offshore wind power generation technology has developed rapidly around the world, making important contributions to the further development of renewable energy. When designing an Offshore Wind Turbine (OWT) system, the uncertainties in parameters and different types of constraints need to be considered to find the optimal design of these systems. Therefore, the Reliability-Based Design Optimization (RBDO) method...
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Exploring the structure–property schemes in anion–π systems of d-block metalates
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Neurohypophyseal Receptors-Ligands: Where We Are After the Landmark Rhodopsin Structure Determination
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Evaluating the performance of inverted pavement structure using the accelerated pavement test (APT)
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Structure of Kα1,2 - and Kβ1,3 -emission x-ray spectra for Se, Y, and Zr
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Impact and pitfalls of scaling of left ventricular and atrial structure in population-based studies
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Phenotypic yield and its structure variability of moderately late and late potato cultivars
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Bifunctional catalyst based on molecular structure: Spherical mesoporous TiO2 and gCN for photocatalysis
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Influence of Hydrogenation on Morphology, Chemical Structure and Photocatalytic Efficiency of Graphitic Carbon Nitride
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Influence of modification by superdispersed powder of aluminum oxide on lead-tin bronze structure
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Proteins Structure Models in the Evaluation of Novel Variant (C.472_477del) in the MOCS2 Gene
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Synthesis, crystal structure and electrical properties of A-site cation ordered BaErMn2O5 and BaErMn2O6
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Structure Analysis of the Modified Cast Metal Matrix Composites by Use of the Rve Theory
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Analysis of Agrarian Structure in Poland in 1921 and 2002 Based on the Example of Selected Districts
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Chromatographic behaviour of ionic liquid cations in view of quantitative structure-retention relationship
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Structure and Mechanical Properties of Composite Layers Prepared by Laser Alloying of Aluminium Alloy
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Structure and Properties of Biodegradable Poly (Xylitol Sebacate-Co-Butylene Sebacate) Copolyester
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Imidazo-thiazine, -diazinone and -diazepinone derivatives. Synthesis, structure and benzodiazepine receptor binding
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Influence of the structure of vanadate-phosphate glasses containing alkali ions on their polaronic properties
PublicationBadano wpływ struktury szkieł wanadanowo-fosforanowych zawierających jony metali alkalicznych na ich właściwości polaronowe metodą NMR.
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Investigations of the circulation effects in the structure using ferrite coupled slot-line section
PublicationW artykule przedstawiono badania cyrkulatora zrealizowanego w oparciu o magnesowaną wzdłużnie sekcję ferrytowych szczelinowych linii sprzężonych. Zaproponowane rozwiązanie pozwala na minimalizację rozmiarów układu cyrkulatora oraz na uzyskanie parametrów porównywalnych z dotychczas publikowanymi. W treści artykułu opisano kolejne etapy projektu. Wyniki numeryczne zweryfikowano eksperymentalnie. Pomierzony układ charakteryzował...
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An EXAFS study of the local structure of rare-earth luminescence centres in the Ca3Ga2Ge3O12 glass
PublicationW pracy przedstawiono wyniki analizy EXAFS danych mierzonych na krawędzi L3 atomów ziem rzadkich takich jak Eu, Ho (0.7 wt.%) oraz Er (1.46 wt.%), którymi domieszkowano szkło 3CaO-Ga2O3-3GeO2. Otrzymane parametry strukturalne opisujące pierwszą powłokę koordynacyjną badanych atomów wskazują, że ich lokalne otoczenie tlenkowe jest jednakowe (niezależne od typu jonu ziemi rzadkiej) i uwzględniając strukturalny nieporządek bardzo...
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Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field
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Performance of protein-structure predictions with the physics-based UNRES force field in CASP11
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The Influence of the Mixed DPC:SDS Micelle on the Structure and Oligomerization Process of the Human Cystatin C
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Recent improvements in prediction of protein structure by global optimization of a potential energy function
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Application of differential scanning calorimetry to study porous structure of hydrothermally modified silicas
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Influence of the rare-earth impurities on the Ga and Ge local structure in the Ca3Ga2Ge3O12 glass
PublicationW pracy przedstawione zostały wyniki analizy EXAFS realizowanejza pomocą metody GNXAS dla serii szkieł typu Ca3Ga2Ge3O12 domieszkowanych metalami ziem rzadkich (0.7 wt.% - Ce, Eu, Ho, Er; oraz 1.0 wt.% Nd). Badaniu poddano lokalne otoczenie wokół jonów Ge i Ga. Porównanie wyników z danymi strukturalnymi otrzymanymi dla szkła niedomieszkowanego wskazuje, że domieszka metali ziem rzadkich modyfikuje jedynie otoczenie jonów galu,...
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Structure-activity relationship studies on the antimicrobial activity of novel edeine a and d analogues
PublicationOpisano syntezę 4 nowych analogów peptydowego antybiotyku, edeiny a i d z wykorzystaniem klasycznej syntezy w roztworze. Stosowano metodę estrów aktywnych oraz metodę azydową do tworzenia wiązań peptydowych. Zbadano także aktywność przeciwgrzybową i przeciwbakteryjną opisanych połączeń.
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Detection of roles of actors in social networks using the properties of actors' neighborhood structure.
PublicationArtykuł opisuje metodę identyfikacji ról aktorów sieci społecznej. Metoda ta może być szczególnie przydatna w sieciach społecznych, o których posiadamy ograniczoną wiedzę, głównie zawężoną do lokalnych powiązań pomiędzy aktorami. Przedstawiona w artykule metoda korzysta z grafu relacji społecznych, algorytmu identyfikacji ról oraz zbioru grafów wzorców relacji. Rozwiązanie zostało przetestowane w społeczności użytkowników serwisu...
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Effects of climate change on microbial community structure and function in Antarctic Glacier Lagoon
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Effect of structure modification with potassium on grains layer creation process and phase transitions
PublicationZbadano szkła germanianowo-ołowiowe i krzemianowo bizutowe. Wartwy metalicznych granul wytwarzano w nich poprzez redukcję powierzchni w atmosferze wodoru. Praca dotyczy wpływu potasu na tworzenie się warstwy granul oraz na procesy topnienia i krzepnięcia granul w trakcie obróbki termicznej.
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Electronic structure and optical properties of boron doped single-wall carbon nanotubes
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Influence of Magnesium Oxide on the Structure and Catalytic Activity of the Wustite Catalyst for Ammonia Synthesis
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Application of stereology for two-phase flow structure validation in fluidized bed reactors
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Oxidation Time Influence on the Structure of the Cobalt Base Clad Layer and Scale Morphology
PublicationZbadano wpływ czasu utleniania na mikrosrukutręi własności mechaniczne a w szczególności mikrotwardość, warstw wykonanych ze stopu kobaltu.Warstwy były wykonane za pomocą napawania plazmowego (PTA). Stop kobaltu podlegał utlenianiu w powietrzu w temperaturze 800 topni celsjusza w czasie 1, 22 i 200 godzin. w wyniku utleniania nastapiło uformowanie warstw zgorzeliny oraz nastapiły zmiany w mikrostrukturze. Zaobserwowano także zmiany...
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Crystal structure and physical properties of NpRh2Sn, a new Np-based ternary compound
PublicationPoprzez syntezę w piecu łukowym został otrzymany nowy związek o stechiometrii NpRh2Sn. NpRh2Sn krystalizuje w strukturze ortorombowej i wykazuje przejście PM-AFM w temperaturze Neela T_N = 34K.