The current paper is aimed at the determination of barriers that govern the covalent coupling between two fullerenes C60 (C60 dimer), C60 and single-walled carbon nanotube ([C60-(4,4)] carbon nanobud), and C60 and graphene ([C60-(5,5)] and [C60-(9,8)] graphene nanobuds). Brutto barriers determined as couplings energies are expanded over two contributions that present total energy of deformation of the composites' components and energy of covalent coupling . In view of these energetic parameters and in contrast to expectations, seemingly identical reactions result in different final products. The peculiarity is suggested to be provided by a topochemical character of the covalent coupling between any two members of the sp2 nanocarbons' family. The computations were performed by using the AM1 semiempirical version of unrestricted broken symmetry Hartree-Fock approach.
Using magnetron sputtering, we have prepared Co-Fe-B/tunnel barrier/Co-Fe-B magnetic tunnel junctions with tunnel barriers consisting of alumina, magnesia, and magnesia-alumina bilayer systems. The highest tunnel magnetoresistance ratios we found were 73% for alumina and 323% for magnesia-based tunnel junctions. Additionally, tunnel junctions with a unified layer stack were prepared for the three different barriers. In these systems, the tunnel magnetoresistance ratios at optimum annealing temperatures were found to be 65% for alumina, 173% for magnesia, and 78% for the composite tunnel barrie…
Tunneling electroresistance (TER) effect is the change in the electrical resistance of a ferroelectric tunnel junction (FTJ) associated with polarization reversal in the ferroelectric barrier layer. Here we predict that a FTJ with a composite barrier that combines a functional ferroelectric film and a thin layer of a non-polar dielectric can exhibit a significantly enhanced TER. Due to the change in the electrostatic potential with polarization reversal the non-polar dielectric barrier acts as a switch that changes its barrier height from a low to high value. The predicted values of TER are gi…
Ferroelectric tunnel junctions (FTJs) have attracted increasing research interest as a promising candidate for non-volatile memories. Recently, significant enhancements of tunneling electroresistance (TER) have been realized through modifications of electrode materials. However, direct control of the FTJ performance through modifying the tunneling barrier has not been adequately explored. Here, adding a new direction to FTJ research, we fabricated FTJs with BaTiO3 single barriers (SB-FTJs) and BaTiO3/SrTiO3 composite barriers (CB-FTJs), and reported a systematic study of FTJ performances by va…
A Cu-Cr composite was processed by severe plastic deformation to investigate the role of interphase boundaries on the grain size reduction mechanisms. The as-deformed material exhibits a grain size of only 20nm. This gives rise to a dramatic increase of the hardness. Some deformation induced Cu super saturated solid solutions were clearly exhibited and it is shown that they decrease the hardness. The formation of such supersaturated solid solution and their influence on the mechanical properties are discussed.
The response of a neo-Hookean fiber composite undergoing finite out-of-plane shear deformation is examined. To this end an explicit close form solution for the out-of-plane shear response of a cylindrical composite element is introduced. We find that the overall response of the cylindrical composite element can be characterized by a fictitious homogeneous neo-Hookean material. Accordingly, this macroscopic response is identical to the response of a composite cylinder assemblage. The expression for the effective shear modulus of the composite cylinder assemblage is identical to the correspondin…
Carbon nanotube (CNT)-reinforced nickel matrix composites with different concentrations were processed by high pressure torsion (HPT). We thoroughly characterized the CNT agglomerates' spatial arrangement at different stages of deformation in order to extract information valuable for the optimization of the processing parameters and to elucidate the mechanisms involved during the processing of particle reinforced metal matrix composites by HPT. From the electron micrographs taken on the radial direction with increasing equivalent strains, we observed that CNT agglomerates debond by relative sl…
Carbon nanotubes (CNT) have been recently proposed as stabilizers against grain growth that can happen even at low temperature inputs in nano-crystalline and ultrafine-grained materials obtained by severe plastic deformation. In this study, we analyzed the evolution of the structural defects on the nanotubes in CNT-reinforced nickel matrix composites with different reinforcement weight fractions. The composites were processed by high pressure torsion, and we used Raman spectroscopy as the main characterization technique. The results indicate that for CNT subjected to highly energetic processin…
A composite material is considered which consists of conducting nanoparticles separated by tunneling dielectric barriers. The influence of the phonon thermal conductivity of dielectric matrix on the thermoelectric figure of merit of this composite material is theoretically in-vestigated. The range of values and barrier parameters that can lead to the thermoelectric figure of merit greater than unity is estimated. The influence of space charge and nonlinearity of current-voltage relations of tunneling barrier are also discussed.
Quasi all water soluble composites use graphene oxide (GO) or reduced graphene oxide (rGO) as graphene based additives despite the long and harsh conditions required for their preparation. Herein, polyvinyl alcohol (PVA) films containing few layer graphene (FLG) are prepared by the co-mixing of aqueous colloids and casting, where the FLG colloid is first obtained via an effcient, rapid, simple, and bio-compatible exfoliation method providing access to relatively large FLG flakes. The enhanced mechanical, electrical conductivity, and O2 barrier properties of the films are investigated and discu…
A filamentary composite elaborated by cold drawing was processed by High Pressure Torsion (HPT). The nanostructure resulting from this severe plastic deformation (SPD) was investigated thanks to scanning electron microscopy, transmission electron microscopy, X-ray diffraction and 3D atom probe. Although the mutual solubility of Cu and Fe is extremely low at room temperature in equilibrium conditions, it is shown that nanoscaled Fe clusters dissolve in the Cu matrix. The non-equilibrium copper supersaturated solid solutions contain up to 20at.% Fe. The driving force of the dissolution is attrib…
Nickel carbon nanotube composites with varying amounts of carbon nanotubes are deformed by high pressure torsion at different deformation temperatures to high strains, where no further refinement of the Nickel matrix microstructure is observed. Mean Nickel grain sizes increase with increasing HPT deformation temperature, while the size of the carbon nanotube agglomerates is significantly reduced. Additionally, the distribution of the agglomerates in the metal matrix becomes more homogenous. To investigate the mechanical performance of the HPT deformed composites, uniaxial tensile and compressi…
In the case of the strongly deformed graphene, gapless graphene may turn to gapped graphene at the critical deformation. We find that, like semi-massless fermions, electrons in the deformed graphene, at the critical point, mimic the dispersions of the massless fermions in one direction and the massive fermions in the other. Our predicted dispersion formula is the generalization of the previously predicted formula. The behavior of the particle-like semi-massless fermions tunneling through a gate barrier is contrasted with that of the (pure) massless fermions tunneling through a gate barrier in …
Liquid-metal infiltrated Cu30Mo70 (weigth percentage) is subjected to severe plastic deformation using high pressure torsion. The initially equiaxed dual phase structure is gradually transformed into a lamellar structure composed of individual Cu and Mo layers. The thickness of the lamellae varies between the micrometer and nanometer ranges depending on the amount of applied strain. Consistent with the refinement of the microstructural features, strength and hardness substantially increase. In addition, an acceptable ductility is found in the intermediate deformation range. An assessment of th…
Chalmers University of Technology（查尔姆斯理工大学）；Eindhoven University of Technology（埃因霍温理工大学）；University of Gothenburg（哥德堡大学）
The macroscopic response of short fiber reinforced composites is dependent on an extensive range of microstructural parameters. Thus, micromechanical modeling of these materials is challenging and in some cases, computationally expensive. This is particularly important when path-dependent plastic behavior is needed to be predicted. A solution to this challenge is to enhance micromechanical solutions with machine learning techniques such as artificial neural networks. In this work, a recurrent deep neural network model is trained to predict the path-dependent elasto-plastic stress response of s…
Under hydrostatic pressure, alpha-quartz undergoes solid-state mechanical amorphization wherein the interpenetration of SiO4 tetrahedra occurs and the material loses crystallinity. This phase transformation requires a high hydrostatic pressure of 14 GPa because the repulsive forces resulting from the ionic nature of the Si-O bonds prevent the severe distortion of the atomic configuration. Herein, we experimentally and computationally demonstrate that e-beam irradiation changes the nature of the interatomic bonds in alpha-quartz and enhances the solid-state mechanical amorphization at nanoscale…
Plastic deformation of the brittle C14-Fe$_2$Nb Laves phase occurs mostly by basal slip due to the complex crystal structure. Here, we compare the barriers for basal slip for the known mechanisms of direct slip, synchroshear and undulating slip using density functional theory calculations. According to our calculated generalized stacking fault (SF) energies, the most favorable mechanisms are synchroshear and undulating slip. Both mechanisms lead to stable SF with a formation energy of 50 $mJ/m^2$ through the same unstable SF configuration at the transition. The energy barrier of approximately …
Fabrication, characterization, and analysis of an ultra-broadband lithography-free absorber is presented. An over 94% average absorption is experimentally achieved in the wavelength range of 450-1400 nm. This ultra-broadband absorption is obtained by a simple annealed tri-layer metal-insulator-metal (MIM) configuration. The metal used in the structure is Manganese (Mn), which also makes the structure cost-effective. It is shown that the structure retains its high absorption for TM polarization, up to 70 degrees, and, for TE polarization, up to 50 degrees. Moreover, the physical mechanism behin…
Cu-refractory metal composites containing Cr, Mo or W were subjected to severe plastic deformation using room temperature high-pressure torsion (HPT). A lamellar microstructure developed in each of the composites at equivalent strains of ~75. The refractory metals developed {hkl}<111> fibre textures with a slight tilt to the tangential direction. This texture was stronger and more clearly defined in Mo and W than in Cr. By applying additional HPT deformation to these samples, perpendicular to the original shear strain, it was found that the lamellar structure of Cu30Mo70 and Cu20W80 (wt.%) com…
The current paper opens a series of papers that are aimed at the determination of barriers that govern the covalent coupling between partners of C60-based composites consisting of two or more fullerenes C60 (C60 dimer and oligomers) (Part 1), C60 and single-walled carbon nanotube ([C60+(4,4)] carbon nanobud) (Part 2), and C60 and graphene ([C60+(5,5)] and [C60+(9,8)] graphene nanobuds) (Part 3). C60 dimers and oligomers are considered in the current paper. The formation of composites is considered from the basic points related to the regioselective chemical reactivity of the fullerene molecule…
This research investigates dynamic response of tunable periodic structures and homogenization methods in magnetoelastic composites (MECs). The research on tunable periodic structures is focused on the design, modeling and understanding of wave propagation phenomena and the dynamic response of smart phononic crystals. High amplitude wrinkle formation is employed to study a one-dimensional phononic crystal slab consists of a thin film bonded to a thick compliant substrate. Buckling induced surface instability generates a wrinkly structure triggered by a compressive strain. It is demonstrated tha…
The current paper presents the second part of the study devoted to composites formed by fullerene C60 and single-walled carbon nanotube ([C60-(4,4)] carbon nanobud). The formation of composites is considered from the basic points related to the atomic chemical reactivity of the fullerene molecule and carbon nanotube. The barrier that governs the composites formation is determined in terms of the coupling energy and is expanded over two contributions that present the total energy of deformation of the composites' components and the energy of covalent coupling . The computations were performed b…
The bound states of a particle in a lens-shaped quantum dot with finite confinement potential are obtained in the envelope function approximation. The quantum dot has circular base with radius $a$ and maximum cap height $b$, and the effective mass of the particle is considered different inside and outside the dot. A 2D Fourier expansion is used in a semi-sphere domain with infinite walls which contains the geometry of the original potential. Electron energies for different values of lens deformation $b/a$, lens radius $a$ and barrier height $V_o$ are calculated. In the very high confinement po…
The increasing demand for more efficient and environmental-friendly gas turbines has driven the development of new strategies for material development. SiC/SiC ceramic matrix composites (CMCs) can fulfil the stringent requirements; however, they require protection from the operating environment and debris ingested during operation. Environmental barrier coatings (EBCs) are a protective measure to enable the CMCs to operate under harsh conditions. EBC-coated CMCs will enable an increased efficiency and reduced pollutant and CO2 emissions. In this review, the fundamentals of SiC/SiC ceramic matr…
Nano-structured molybdenum-copper composites have been produced through severe plastic deformation of liquid-metal infiltrated Cu30Mo70 and Cu50Mo50 (wt.%) starting materials. Processing was carried out using high pressure torsion at room temperature with no subsequent sintering treatment, producing a porosity-free, ultrafine grained composite. Extensive deformation of the Cu50Mo50 composite via two-step high-pressure torsion produced equiaxed nanoscale grains of Mo and Cu with a grain size of 10-15 nm. Identical treatment of Cu30Mo70 produced a ultrafine, lamellar structure, comprised of Cu a…
A high-resolution dielectric and calorimetric study of the isotropic (I) to nematic (N) phase transition of carbon nanotube (CNT) dispersed liquid crystal (LC) functional composites as a function of CNT concentration is reported. The evolution of the I-N phase transition, the temperature dependence of local nematic ordering formed by dispersed CNTs in the LC media and the transition enthalpy were coherently monitored. Anisotropic CNTs induce local deformation to the nematic director of LC and form lyotropic pseudo-nematic phase in the LC media. Results clearly indicate the dramatic impact of d…
This paper addresses the numerical simulation of self-piercing rivetting processes to join fibre reinforced polymers and sheet metals. Special emphasis is placed on the modelling of the deformation and failure behaviour of the composite material. Different from the simulation of rivetting processes in metals, which requires the modelling of large plastic deformations, the mechanical response of composites is typically governed by intra- and interlaminar damage phenomena. Depending on the polymeric matrix, viscoelastic effects can interfere particularly with the long-term behaviour of the joint…
Soft materials capable of large inelastic deformation play an essential role in high-performance nacre-inspired architectured materials with a combination of stiffness, strength and toughness. The rigid "building blocks" made from glass or ceramic in these architectured materials lack inelastic deformation capabilities and thus rely on the soft interface material that bonds together these building blocks to achieve large deformation and high toughness. Here, we demonstrate the concept of achieving large inelastic deformation and high energy dissipation in soft materials by embedding microstruc…
Understanding nanomechanical response of materials represents a scientific challenge. Here, we have used in-situ electron microscopy to reveal drastic for the first time changes of structural behavior during deformation of 1-nm-wide metal rods as a function of temperature. At 300 K, stretched nanowires stay defect-free, while at 150 K, elongation is associated with planar defects. As size is reduced, energy barriers become so small that ambient thermal energy is sufficient to overcome them. Nanorods display an elastic regime until a mechanism with high enough blocking barrier can be nucleated.…
Probabilistic Predictions of Process-Induced Deformation in Carbon/Epoxy Composites Using a Deep Operator Network
Department of Applied Mathematics, Brown University, USA（布朗大学应用数学系）；Center for Composite Materials, University of Delaware, Newark, Delaware 19716, USA（德雷塞尔大学复合材料中心）；Department of Mechanical Engineering, University of Delaware, Newark, Delaware 19716, USA（德雷塞尔大学机械工程系）；Department of Material Science and Engineering, University of Delaware, Newark, Delaware 19716, USA（德雷塞尔大学材料科学与工程系）；Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware 19716, USA（德雷塞尔大学化学与生物分子工程系）；Department of Computer and Information Sciences, University of Delaware, Newark, Delaware 19716, USA（德雷塞尔大学计算机与信息科学系）；Department of Mechanical Engineering, Clemson University, Clemson, SC 29634, USA（克莱姆森大学机械工程系）
The current paper presents the third part of the study devoted to composites formed by fullerene C60 and two graphene nanosheets ([C60+(5,5)] and ([C60+(9, 8)] graphene nanobuds). The formation of composites is considered from the basic points related to the atomic chemical reactivity of the fullerene molecule and nanographene. The barrier that governs the composites formation is determined in terms of the coupling energy and is expanded over two contributions that present the total energy of deformation of the composites' components and the energy of covalent coupling. In view of these energe…
Magnetoelectric interactions in bilayers of magnetostrictive and piezoelectric phases are mediated by mechanical deformation. Here we discuss the theory and companion data for magnetoelectric (ME) coupling at electromechanical resonance (EMR) in a ferrite-lead zirconate titanate (PZT) bilayer. Estimated ME voltage coefficient versus frequency profiles for nickel, cobalt, or lithium ferrite and PZT reveal a giant ME effect at EMR with the highest coupling expected for cobalt ferrite-PZT. Measurements of resonance ME coupling have been carried out on layered and bulk composites of nickel ferrite…
Many biological materials consist of sparse networks of disordered fibres, embedded in a soft elastic matrix. The interplay between rigid and soft elements in such composite networks leads to mechanical properties that can go far beyond the sum of those of the constituents. Here we present lattice-based simulations to unravel the microscopic origins of this mechanical synergy. We show that the competition between fibre stretching and bending and elastic deformations of the matrix gives rise to distinct mechanical regimes, with phase transitions between them that are characterized by critical b…
In this paper we develop a link between the atomic-level modeling of the glide of 1/2<111> screw dislocations at 0 K and the thermally activated motion of these dislocations via nucleation of pairs of kinks. For this purpose, we introduce the concept of a hypothetical Peierls barrier, which reproduces all the aspects of the dislocation glide at 0 K resulting from the complex response to non-glide stresses and is expressed in a compact form by the yield criteria advanced in Part II. To achieve this the barrier is dependent not only on the crystal symmetry and interatomic bonding but also on the…
Thin shell carbon fiber composites have great potential for structures that require large recoverable deformations, high stiffness and low weight, as in deployable space structures, biomedical devices and robotics. Despite being astonishingly flexible in fiber direction, thin shells are highly sensitive to off-axis loading. High sensitivity to imperfections, manufacturing limitations and a missing in-depth mechanical understanding hinders the creation of transversely robust shells. This paper provides crucial insights into the factors influencing the transverse strength of ultra-thin composite…
