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Search results for: theoretical chemistry
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A perfect hashing incremental scheme for unranked trees using pseudo-minimal automata
PublicationWe describe a technique that maps unranked trees to arbitrary hash codes using a bottom-up deterministic tree automaton (DTA). In contrast to other hashing techniques based on automata, our procedure builds a pseudo-minimal DTA for this purpose. A pseudo-minimal automaton may be larger than the minimal one accepting the same language but, in turn, it contains proper elements (states or transitions that are unique) for every input...
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A simple test for quantum channel capacity
PublicationBased on state and channel isomorphism we point out that semidefiniteprogramming can be used as a quick test for nonzero one-way quantum channelcapacity. This can be achieved by searching for symmetric extensions of statesisomorphic to a given quantum channel. With this method we provide examplesof quantum channels that can lead to high entanglement transmission but stillhave zero one-way capacity, in particular, regions of symmetric...
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Toward a universal Embedded-Atom Method: II. A set of transferable denisty and dimmer referenced embedding energy functions for all elements of the periodic table as tool for removing two gauge degrees of freedom in EAM potentials
PublicationZestaw kluczowych właściwości homodwuatomowych cząsteczek o Z ≤ 103 (równowagowa odległość między atomami re, energia dysocjacji DO, Liczba falowa drgań ωe) zostały zestawione na bazie dostępnych danych eksperymantalnych oraz obliczeń za pomocą teorii funkcjonałów gęstości elektronowej B3LYP/SBKJC.
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Cavity-QED tests of representations of canonical commutation relations employed in field quantization
PublicationDane eksperymentalne dotyczące oscylacji Rabiego porównano z opisem teoretycznym w ramach alternatywnych sformułowań elektrodynamiki kwantowej. Okazało się, iż eksperyment nie jest w stanie rozróżnić opisu standardowego od nowego sformułowania opartego o redukowalne reprezentacje CCR. Zaproponowano nowy eksperyment, którego wynik mógłby być rozstrzygający.
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Cartoon computation: Quantum-like algorithms without quantum mechanics
PublicationZaproponowano formalizm prowadzący do algorytmów analogicznych do kwantowych, lecz wykorzystujący jedynie struktury geometryczne. Jako przykład sformułowano odpowiednik kwantowego algorytmu Deutscha-Jozsy.
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Regularization as quantization in reducible representations of CCR
PublicationOpis kwantowego pola elektromagnetycznego przy pomocy redukowalnych reprezentacji CCR prowadzi do automatycznej regularyzacji teorii. Sformułowanie jest jawnie relatywistycznie współzmiennicze. Przeanalizowano - jako przykład - pola kwantowe wytwarzane przez klasyczne źródła.
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Elementary gates for cartoon computation
PublicationSformułowano elementarne bramki kwantowe, pozwalające tłumaczyć algorytmy kwantowe na język geometryczny.
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A macroscopic device for quantum computation
PublicationPrzeanalizowano mechaniczny model kwantowego układu 2-bitowego. Model jest zilustrowany algorytmem Deutscha i Arvinda.
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Identification i simulation of initial geometric imperfection of steel cylindrical tanks
PublicationPrzedstawiono stochastyczną analizę stalowych zbiorników walcowych ze wstępnymi imperfekcjami geometrycznymi. Wykorzystano pomierzone odchyłki rzeczywistych zbiorników. Imperfekcje opisano za pomocą nienorodnych pól losowych. Wygenerowano realizacje odpowiadające pomierzonym imperfekcjom a także imperfekcjom ekstremalnym. Wykonano obliczeniach geometrycznie i materiałowo nieliniowe zbiornika z imperfekcjami. Wykazano, że imperfekcje...
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Toward mechanosynthesis of diamondoid structures: V. Silicon as the material of choice for preliminary implementation of intermediate generation of nano-machine systems
PublicationStosując ostatnio wprowadzony przez Drexlera ''moduł skalowany stałą sieciową'' KLM, porównano dwa potencjalne nano-materiały, krzem i diament. Szczegółowe porównanie właściwości fizycznych i chemicznych wykazuje, że krzem może być rozważany jako materiał z wyboru dla pierwotnej implementacji pośredniej generacji nano-systemów.
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Towards mechanosynthesis of diamondoid structures: iv. The strategy for preliminary implementation of elenbogen's ''mater as software'' concept
PublicationOpublikowana wcześniej (Molecular Electronics and Molecular Electronic Devices, Vol. 1, Chap. 2, CRC Press, Inc. 1993, pp. 31-83) strategia budowy molekularnych urządzeń ulektronicznych w oparciu o polisilany jest rozszerzona w kierunku koncepcji Ellenbogena ''mater as software'' poprzez rozważenie użycia zamkniętej jednościennej nanorórki jako ostrza STM w celu umożliwienia manipulacji cząsteczkami sililenu.
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Automatic Regularization by Quantization in Reducible Representations of CCR: Point-Form Quantum Optics with Classical Sources
PublicationElectromagnetic fields are quantized in a manifestly covariant way by means ofa class of reducible "center-of-mass N-representations" of the algebra of canonical commutationrelations (CCR). The four-potential Aa(x) transforms in these representations as aHermitian four-vector field in Minkowski four-position space (without change of gauge), butin momentum space it splits into spin-1 massless photons and two massless scalars. Whatwe...
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Neuro-wavelet damage detection technique in beam, plate and shell structures with experimental validation
PublicationNiniejsza praca poświęcona jest technice diagnostyki konstrukcji bazującej na transfor-macie falkowej oraz sztucznych sieciach neuronowych (tzw. system neuro-wavelet). Zastosowanie analizy falkowej pozwala na lokalizację uszkodzeń wymagającą mini-malnej ilości danych wejściowych. W tym celu niezbędna jest tylko odpowiedź kon-strukcji pomierzona w wielu punktach. Poprawę efektywności lokalizacji zniszczeń uzyskano poprzez użycie...
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Theoretical and experimental assessment of parameters for the non-linear viscoelastic model of structural pounding
PublicationZjawisko zderzeń pomiędzy sąsiednimi konstrukcjami budowlanymi podczas trzęsień ziemi jest w ostatnim czasie intensywnie badane z wykorzystaniem różnych modeli numerycznych siły zderzenia w czasie kontaktu. Wyniki badań eksperymentalnych pokazują, iż nieliniowy model lepko-sprężysty jest najdokładniejszy wśród modeli stosowanych do analizy. Model ten zdefiniowany jest poprzez dwa parametry: liczbę tłumienia zderzenia oraz parametr...
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Addendum to ''On the derivative of the Legendre function of the first kind with respect to its degree''
PublicationPraca stanowi uzupełnienie wcześniejszej publikacji autora [J. Phys. A: Math. Gen. 39(2006) 15147-15172]. Przedstawiono w niej nowe wyrażenia dla pochodnej funkcji Legendre'a względem jej indeksu i zastosowano je do konstrukcji dwóch nowych reprezentacji funkcji Legendre'a drugiego rodzaju z całkowitym indeksem.
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Turbulent heat transfer in thin liquid films at low and high heat fluxes
PublicationW pracy przedstawiono rozważania turbulentnej wymiany ciepła w cienkich filmach cieczowych powstałych w wyniku uderzenia strugi przy małych i dużych strumieniach ciepła. W ostatnim przypadku może dojść do wrzenia filmu cieczowego. Oba zjawiska zamodelowano i uzyskano odpowiednie rozkłady temperatury i pedkosci.
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Fe-Al based composite reinforced with ultra-fine Al<sub>2</sub>O<sub>3</sub> oxides for high temperature applications
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Assessment of fatigue life of aluminized, coarse-grained MAR247 alloy supported by full-field ESPI measurements
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On the dervative of the Legendre function of the first kind with respect to its degree [Corrigendum]
PublicationSkorygowano błąd matematyczny w pracy: R. Szmytkowski, On the derivative of the Legendre function of the first kind with respect to its degree, J. Phys. A: Math. Gen. Vol. 39(2006) s. 15147-15172 [744014]
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Closed forms of the Green's function and the generalized Green's function for the Helmholtz operator on the N-dimensional unit sphere
PublicationPokazano, że funkcję Greena dla operatora Helmholtza na N-wymiarowej sferze jednostkowej można wyrazić przez funcję Gegenbauera pierwszego rodzaju. W tych przypadkach, w których funkcja Greena nie istnieje, skonstruowano uogólnioną funkcję Greena.
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A dynamical model for plasma confinement transitions
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The use of response surface methodology for reliability estimation of composite engineering structures
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On the plastic buckling of curved carbon nanotubes
PublicationThis research, for the first time, predicts theoretically static stability response of a curved carbon nanotube (CCNT) under an elastoplastic behavior with several boundary conditions. The CCNT is exposed to axial compressive loads. The equilibrium equations are extracted regarding the Euler–Bernoulli displacement field by means of the principle of minimizing total potential energy. The elastoplastic stress-strain is concerned...
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Minimal 2-dominating sets in Trees
PublicationWe provide an algorithm for listing all minimal 2-dominating sets of a tree of order n in time O(1.3247^n). This leads to that every tree has at most 1.3247^n minimal 2-dominating sets. We also show that thisbound is tight.
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Damage detection in beams using wavelet transform on higher vibration modes
PublicationNiniejsza praca poświęcona jest technice diagnostyki konstrukcji bazującej na transformacie falkowej. Badany obiekt to belka wspornikowa z uszkodzeniami w formie nacięcia o głębokości 20%, 10% oraz 5% wysokości belki. Pomiary postaci drgań wykonano za pomocą nowoczesnego wibrometru laserowego. Celem pracy jest przedstawienie eksperymentalnych i numerycznych analiz wpływu wyższych postaci drgań na efektywność wykrywania uszkodzeń...
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Toward mechanosynthesis of diamondoid structures: vii. simple strategy of building atomically perfect spm tip through attachment of c60 molecule to commercial silicon tip by controlled hydrogen atom desorption from tip asperity si(111) silicon surface
PublicationZaproponowano strategię unieruchomienia cząsteczki c60 na ostrzu chandlowego czujnika spm zbudowanego z krzemu. strategia składa się z czterech prostych etapów i prowadzi do ostrza spm o atomowo zdefiniowanej budowie. modelowanie właściwości ostrza sugeruje, że mogło by ono mieć zastosowanie w mechanosyntezie.
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Process zone in the Single Cantilever Beam under transverse loading. - Part I: Theoretical analysis
PublicationSingle Cantilever Beam (SCB) specimen loaded with a transverse force parallel to the crack front is proposed for the analysis of crack propagation phenomena under mixed mode conditions. The stress redistribution in the adhesive layer in the vicinity of the crack front so as the beam deformation are estimated using a Timoshenko beam on elastic foundation model. This model emphasizes the Mode II contribution due to flexural beam...
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Process zone in the Single Cantilever Beam under transverse loading. - Part II: Experimental
PublicationThis paper describes an experimental arrangement to evaluate stress/strain fields in the process zone of asymmetric adhesively bonded joints. A transparent polycarbonate flexible beam was bonded to an aluminium alloy rigid block with an epoxy adhesive in a Single Cantilever Beam (SCB) configuration. The flexible adherend was loaded in the direction parallel to the initial crack front at constant rate. To monitor strains induced...
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Modeling of the fascia-mesh system and sensitivity analysis of a junction force after a laparoscopic ventral hernia repair
PublicationW pracy rozpatrywano prosty model cięgnowy układu powięż-siatka do oszacowania siły połączenia siatki z powięzią po operacji laparoskopowej przepukliny brzusznej. Cięgno obciążone jest ciśnieniem wewnątrz brzusznym, symulującym kaszel, oraz przemieszczeniami jego końców wywołanymi skłonami pacjenta. Wpływ poszczególnych parametrów cięgna na siłę połączenia określono za pomocą analizy wrażliwości. Sformułowano pewne wnioski ważne...
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Modelling and analysis of beam/bar structure by application of bond graphs
PublicationThe paper presents an uniform, port-based approach to modelling of beam/bar systems (trusses). Port-based model of such distributed parameter system has been defined by application of the bond graph methodology and the distributed transfer function method (DTFM). The proposed method of modelling enables to formulate input data for computer analysis by application of the DTFM. The constructed computational package enables the frequency...
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publicationw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Investigations of Aerodynamics of Tesla Bladeless Microturbines
PublicationThe paper presents an analysis of a Tesla bladeless turbine for a co-generating micro-power plant of heat capacity 20 kW, whichoperates in an organic Rankine cycle with a low-boiling medium. Numerical calculations of flow in several Tesla turbine models areperformed for a range of design parameters. Results of investigations exhibit interesting features in the distribution of flowparameters within the turbine interdisk space. The...
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On the crack front curvature in bonded joints
PublicationStandard tests of adhesively bonded specimens are likely to produce heterogeneous stress distribution along the crack front and its vicinity. High separation rate mode I dominated fracture test is performed.Observation of post mortem fractured surfaces with an optical microscope reveals characteristic features of mixed mode I/III fracture near the sides of the specimen but not in the middle. At first, finite elements calculations...
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Teleportation of geometric structures in 3D
PublicationThe simplest quantum teleportation algorithms can be represented in geometric terms in spaces of dimensions 3 (for real state vectors) and 4 (for complex state vectors). The geometric representation is based on geometric-algebra coding, a geometric alternative to the tensor-product coding typical of quantum mechanics. We discuss all the elementary ingredients of the geometric version of the algorithm: geometric analogs of states...
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Local hidden–variable models for entangled quantum states
PublicationWhile entanglement and violation of Bell inequalities were initially thought to be equivalent quantum phenomena, we now have different examples of entangled states whose correlations can be described by local hidden-variable models and, therefore, do not violate any of the Bell inequalities. We provide an up-to-date overview of the existing literature regarding local hidden-variable models for entangled quantum states, in both...
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Analytical studies of spectrum broadcast structures in quantum Brownian motion
PublicationSpectrum broadcast structures are a new and fresh concept in the quantum-to-classical transition, introduced recently in the context of decoherence and the appearance of objective features in quantum mechanics. These are specific quantum state structures, responsible for the objectivization of the decohered state of a system. Recently, they have been demonstrated by means of the well-known quantum Brownian motion model of the recoilless...
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A PRELIMINARY STUDY ON THE OPTIMAL CHOICE OF AN IMPLANT AND ITS ORIENTATION IN VENTRAL HERNIA REPAIR
PublicationThis paper addresses the problem of ventral hernia repair. The main goals are to find an optimal surgical mesh for hernia repair and to define its optimal orientation in the abdominal wall to minimise the maximum force at the tissue-implant juncture. The optimal mesh is chosen from a set of orthotropic meshes with different stiffness ratios for typical hernia placement in the abdominal area. The implant is subjected to an anisotropic...
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If Gravity is Geometry, is Dark Energy just Arithmetic?
PublicationArithmetic operations (addition, subtraction, multiplication, division), as well as the calculus they imply, are non-unique. The examples of four-dimensional spaces, R^4 and (−L/2,L/2)^4, are considered where different types of arithmetic and calculus coexist simultaneously. In all the examples there exists a non-Diophantine arithmetic that makes the space globally Minkowskian, and thus the laws of physics are formulated in terms...
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Convex set of quantum states with positive partial transpose analysed by hit and run algorithm
PublicationThe convex set of quantum states of a composite K×K system with positive partial transpose is analysed. A version of the hit and run algorithm is used to generate a sequence of random points covering this set uniformly and an estimation for the convergence speed of the algorithm is derived. For K >3 or K=3 this algorithm works faster than sampling over the entire set of states and verifying whether the partial transpose is positive....
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Enhanced energy conversion as a result of fluid-solid interaction in micro- and nanoscale
PublicationIt is known that nano- and micromechanics require new approaches to right describing of surface-like phenomena which lead to an enhanced energy conversion. In this work, a general form of surface forces that consist of a contribution from both the friction and mobility components has been extended to collect the effects of bulk and surface motion of a fluid. Quite similar impact can be observed for a solid-fluid mixture, where...
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ADAPTATION OF ENGINEERING FEA-BASED ALGORITHMS TO LCF FAILURE AND MATERIAL DATA PREDICTION IN OFFSHORE DESIGN
PublicationThere is an ever growing industrial demand for quantitative assessment of fatigue endurance of critical structural details. Although FEA-based calculations have become a standard in engineering design, problems involving the Low-To-Medium cycle range (101-104) remain challenging. This paper presents an attempt to optimally choose material data, meshing density and other algorithm settings in the context of recent design of the...
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Polyester sail technical woven fabric behaviour under uniaxial and biaxial tensile tests
PublicationThe paper is focused on the identification of mechanical properties of a sail technical woven fabric (yacht sailcloth polyester) style 480 AP with MTO (Medium Tempered Optimized) finish. The non-linear elastic behaviour of the fabric applied for sails is investigated under uniaxial and biaxial tensile tests. Comparison of non-linear elastic parameters with others polyester coated fabrics is made. This paper is intended to be an...
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Wavepacket of the Universe and its Spreading
PublicationWavepackets in quantum mechanics spread and the Universe in cosmology expands. We discuss a formalism where the two effects can be unified. The basic assumption is that the Universe is determined by a unitarily evolving wavepacket defined on space-time. Space-time is static but the Universe is dynamic. Spreading analogous to expansion known from observational cosmology is obtained if one regards time evolution as a dynamical process...
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Intrinsic asymmetry with respect to adversary: a new feature of Bell inequalities
PublicationIt is known that the local bound of a Bell inequality is sensitive to the knowledge of the external observer about the settings statistics. Here we ask how that sensitivity depends on the structure of that knowledge. It turns out that in some cases it may happen that the local bound is much more sensitive to the adversaryʼs knowledge about the settings of one party than the other. Remarkably, there are Bell inequalities which are...
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Constructive entanglement test from triangle inequality
PublicationWe derive a simple lower bound on the geometric measure of entanglement for mixed quantum states in the case of a general multipartite system. The main ingredient of the presented derivation is the triangle inequality applied to the root infidelity distance in the space of density matrices. The obtained bound leads to entanglement criteria with a straightforward interpretation. The proposed criteria provide an experimentally accessible,...
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Determination of Mechanical Properties of P91 Steel by Means of Magnetic Barkhausen Emission
PublicationIn this work, an attempt at determination of mechanical properties by means of a method based on magnetic Barkhausen emission measurements was proposed. The specimens made of P91 steel were subjected to creep or plastic flow which were interrupted after a range of selected time periods in order to achieve specimens with an increasing level of strain. Subsequently, measurements of magnetic Barkhausen emission were carried out, and...
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The use of Response Surface Methodology for reliability estimation of composite engineering structures
PublicationStability loss is one of the key issues in the analysis of shells made of composite materials. This paper aims at finding the variation of the critical or limit value of the load resulting from geometric imperfections. An axially compressed 16-layer cylindrical panel model is considered. The imperfections of the panel are simulated as random fields. The parameters of these fields are used as the basic variables of the reliability...
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Toward Mechanosynthesis of Diamondoid Structures: X. Commercial Capped CNT SPM Tip as Nowadays Available C2 Dimer Placement Tool for Tip-Based Nanofabrication
PublicationAccording to Drexler, advanced mechanosynthesis will employ advanced nano-machines, but advanced nano-machines will themselves be products of advanced mechanosynthesis. This circular relationship must be broken via TBN technology development. In this article, the possibility of using easily available commercial CNT tips to assemble carbon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target...
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Toward Mechanosynthesis of Diamondoid Structures: IX Commercial Capped CNT Scanning Probe Microscopy Tip as Nowadays Available Tool for Silylene Molecule and Silicon Atom Transfer
PublicationAccording to K. E. Drexler, advanced mechanosynthesis will employ advanced nanomachines, but advanced nanomachines will themselves be product of advanced mechanosynthesis. This circular relationship must be broken in SPM technology development. In the article, the possibility of use easy available commercial CNT tips to assembly silicon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target class...
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Cyclic deformation and fracture behaviour of additive manufactured maraging steel under variable-amplitude loading
PublicationThe cyclic deformation and fracture behaviour of 18Ni300 maraging steel produced by laser beam powder bed fusion is studied under variable-amplitude loading. The tests were conducted under fully-reversed strain-controlled conditions with a loading sequence comprising three ascending cycles and three descending cycles repeated sequentially until failure. After the tests, fracture surfaces were examined using height and volume surface...