Size-driven dimensional crossover in the quasi-two-dimensional Ising model

We have studied the finite size effect in the quasi-two-dimensional Ising model by using a Monte Carlo simulation. A marked finite size effect was found with decreasing interlayer interaction. Aside from the well-known three- to two-dimensional crossover, a three- to one-dimensional crossover at a crossover size L_c∼(λ/2)^−ν/φ was revealed as an origin of the marked finite size effect, where λ is the interlayer to intralayer interaction ratio, and ν and φ are the critical exponent for the correlation length and the crossover exponent, respectively. While the former crossover is driven by temperature, the latter is driven by size at a fixed λ.     

Molecular dynamics investigation of shape effects on thermal characteristics of platinum nanoparticles

Using molecular dynamics simulations with the quantum corrected Sutton-Chen type many-body potential, we investigate the thermal characteristics and structural evolution of Pt nanoparticles with spherical and polyhedral shapes under the heating process. The main focus of this work is the shape effects on the thermal characteristics of Pt nanoparticles. The simulation results show that all types of nanoparticles present the same overall melting temperature in spite of their different shapes. These nanoparticles can hold their initial shapes and structures at low temperature. However, polyhedral nanoparticles undergo a remarkable shape transformation before their overall melting. The critical temperature of shape transformation depends on their shapes and associated Miller index of the surface. Our study indicates that octahedron-truncated nanoparticle displays a better thermal stability than other polyhedral nanoparticles.     

Magnetic field heating study of Fe-doped Au nanoparticles

Fe-doped Au nanoparticles are ideal for biological applications over magnetic oxides due to their conjugation chemistry, optical properties, and surface chemistry. We present an AC magnetic field heating study of 8 nm Fe-doped Au nanoparticles which exhibit magnetic behavior. Magnetic heating experiments were performed on stable aqueous solutions of the nanoparticles at room temperature. The nanoparticles exhibit magnetic field heating, with a specific absorption rate (SAR) of 1.84 W/g at 40 MHz and H=100 A/m. The frequency dependence of the heating follows general trends predicted by power loss equations and is similar to traditional materials.     

Size-dependent thermodynamic criterion for the thermal stability of binary immiscible metallic multilayers

With the aim of understanding the thermal stability of binary immiscible metallic multilayers, we propose a generally size-dependent thermodynamic criterion for determining the interface alloying in multilayers, with respect to the size-dependent interface energy of binary metal systems. Taking the copper/tungsten bilayer as an example, we obtain the interfacial alloying phase diagram based on the proposed thermodynamic model. Our theoretical predictions are consistent with experiments, implying that the size-dependent thermodynamic criterion of the thermal stability could be expected to be applicable to many multilayers.     

Correlation between the size-dependent melting and crystallization temperatures of metal nanoparticles

The correlation between the melting and crystallization temperatures of metal nanoparticles is investigated by means of the thermodynamic approach. Size-dependent variations in the melting temperature of aluminum, tin, and copper nanoparticles are calculated with allowance for the corresponding size dependences of surface tensions in solid and liquid phases and interfacial tension. Size-dependent variations in crystallization temperature are determined under the assumption that a certain effective surface layer (skin-layer) arises before melting.     

Low-temperature specific heat spectra considering nonextensive long-range correlated quasiperiodic DNA molecules

We consider the low-temperature specific heat spectra of long-range correlated quasiperiodic DNA molecules using a q-gaussian distribution, and compare them with those considering the Boltzmann-Gibbs distribution. The energy spectra are calculated using the one-dimensional Schrödinger equation in a tight-binding approximation with the on-site energy exhibiting long-range disorder and non-random hopping amplitudes. We focus our attention at the low temperature region, where the specific heat spectra presents a logarithmic-periodic oscillations as a function of the temperature T around a mean value given by a characteristic dimension of the energy spectrum.     

Nanotube size-dependent melting of single crystals in carbon nanotubes

Received: 15 April 1997/Accepted: 16 April 1997     

Thermodynamic model of metal-induced self-assembly of Ge quantum dots on Si substrates

We have investigated the nucleation thermodynamics and kinetics of the Ge quantum dot (QD) self-assembly on the Au-patterned Si substrates based on the surface chemical potential theory. It is find that the minimum chemical potential on the substrate surface is located at the center site of the square lattice constructed by Au islands, which indicates that the nucleation of QD is thermodynamically favorable at the center site. The nucleation probability of QD at the center site is kinetically calculated by the mechanochemical potential-based approach. The influence of the surface orientation of Si substrates on the QD shape is addressed by the surface chemical potential theory.     

Thermal diffusivity of rhodamine 6G incorporated in silver nanofluid measured using mode-matched thermal lens technique

Dual beam mode-matched thermal lens method has been employed to measure the heat diffusion in nanofluid of silver with various volumes of rhodamine 6G, both dispersed in water. The important observation is an indication of temperature dependent diffusivity and that the overall heat diffusion is slower in the chemically prepared Ag sol compared to that of water. The experimental results can be explained assuming that Brownian motion is the main mechanism of heat transfer under the present experimental conditions. Light induced aggregation of the nanoparticles can also result in an anomalous diffusion behavior.     

The role of the amorphous fraction for the equilibrium shape of polymer single crystals

The equilibrium state of polymer single crystals is considered by explicitly taking into account the amorphous fraction formed by loops and tails of the chains using a statistical model introduced by Muthukumar (Philos. Trans. R. Soc. London, Ser. A 361, 539 (2003)). We show that under realistic conditions below the equilibrium melting temperature, tight loops and close re-entries are favored, and that the amorphous fraction can be mapped into an excess surface free energy. The model is extended to many-chain crystals where it is shown that the lamellar thickness increases with the number of chains in the crystal and extended-chain conformations are thermodynamically favored if the number of chains in the crystal is sufficiently large. The number of chains necessary to form an extended-chain crystal in thermodynamic equilibrium scales with the square of the degree of polymerization of the chains. We discuss the temperature behavior of the equilibrium crystal thickness in the under-cooled state.     

Prediction of nanoparticles’ size-dependent melting temperature using mean coordination number concept

Many models have been developed to predict size-dependent melting temperature of nanoparticles. A new model based on the cluster mean coordination number (MCN) calculations is developed in this work. Results of the model for Al, Au, Pb, Ag, Cu, In, Sn, and Bi were compared with other models and experiments. The comparison indicated that the MCN model is in good agreement with available experimental values. It is also found that the melting temperature is more dependent on particle size as the atomic radius increased.     

Polymorphic transformation of the Γ-form of d-sorbitol upon milling: structural and nanostructural analyses

In this paper, we study the structural, nanostructural and thermodynamic evolutions of crystalline Γ-sorbitol upon mechanical milling. The investigations have been performed by powder X-ray diffraction and differential scanning calorimetry. The results clearly show that the evolution upon milling can be divided in two stages. The first one only reveals micro and nanostructural modifications of the crystallites appearing through a size reduction, deformations, and changes of shape. On the other hand, the second stage reveals a complete structural transformation of the Γ-form of sorbitol towards the metastable A-form of sorbitol. Special attention has been paid to the nanostructural features derived from the first stage, which trigger the ultimate structural transformation.     

Decomposition of the hexagonal copper hydride at high pressure

The process of decomposition of hexagonal copper hydride has been observed in situ in a diamond anvil cell (DAC) using the energy dispersive X-ray diffraction (EDXRD) method. The presence and intensity of diffraction lines of the hexagonal CuH_0.8 phase have been taken as a probe for the decomposition process. The intensity of diffraction lines decreases abruptly in the vicinity of 8.4 GPa, indicating complete decomposition of the hydride. The determined value of decomposition pressure is equal to 8.4±0.6 GPa. The standard Gibbs energy of formation of 54.0±1.3 kJ mol⁻¹ (H₂) calculated for copper hydride has been compared with the result obtained from calorimetric studies. The large discrepancy between the two values suggests that the decomposition pressure does not describe ‘true’ equilibrium conditions in this system.     

Connection between nanostructured materials’ size-dependent melting and thermodynamic properties of bulk materials

Based on the thermodynamic and thermophysical properties of bulk materials, Gibbs free energy for nanostructured materials is obtained and used to study the size-dependent melting point depression phenomenon. The effects of volume change due to fusion, the thermal expansion and the temperature dependency of surface free energy of bulk materials on the melting point depression are investigated. Conversely, the solid surface free energy of bulk materials is also researched by means of the size-dependent melting temperature of nanostructured materials.     

Electrical properties and defect model of tin-doped indium oxide layers

Tin-doped In₂O₃ layers were prepared by the spray technique with doping concentrationsc _Sn between 1 and 20 at. % and annealed at 500 °C in gas atmospheres of varying oxygen partial pressures. The room-temperature electrical properties were measured. Maximum carrier concentrationsN=1.5×10²¹cm^–3 and minimum resistivities =1.3×10^–4 cm are obtained if the layers are doped withc _Sn9 at. % and annealed in an atmosphere of oxygen partial pressurep _O2 10^–20 bar. At fixed doping concentration, the carrier mobility increases with decreasing oxygen pressure. The maximum obtainable mobility can be described in terms of electron scattering by ionized impurities. From an analysis of the carrier concentration and additional precision measurements of the lattice constants and film thicknesses, a defect model for In₂O₃:Sn is developed. This comprises two kinds of interstitial oxygen, one of which is loosely bound to tin, the other forming a strongly bound Sn₂O₄ complex. At low doping concentrationc _Sn4 at. % the carrier concentration is governed by the loosely bound tin-oxygen defects which decompose if the oxygen partial pressure is low. The carrier concentration follows from a relationN=K ₁ ·p _O2 ^–1/8 ·(3 ×10¹⁰ × c_Sn –N)^1/4 with an equilibrium constantK ₁=1.4×10¹⁵ cm^–9/4bar^1/8, determined from our measurements.     

Derivation of quantum yields for visible emission transitions of Sm in heavy metal tellurite glass

Under the pumping of violet lighting emitting diode, quantum yields for multichannel transition emissions have been determined in Sm³⁺-doped heavy metal tellurite glass for the first time. For the derivation, the necessary fluorescence spectra were measured and calibrated in an integrating sphere connected to a CCD detector with a 400 μm-core optical fiber. The spectral power distribution of the sample was derived from the measured spectra first, and then the quantum yields of the visible emissions of Sm³⁺ were calculated based on the distribution. The total quantum yield for four emission transitions of Sm³⁺ in visible region is 4.07%. Integrating sphere with a CCD detector is proven to be a reliable and reproducible method to characterize luminescence and laser materials.     

Codeposition of SiC particles with electrolytic cobalt in the presence of Cs ions

Electrodeposition of SiC particles with cobalt matrix in the presence of cesium ions was studied. The influence of Cs⁺ concentration (0-37.6 mM) on the cathodic polarization curves was determined in galvanostatic and potentiodynamic measurements. It was found that the presence of Cs⁺ in the solution enhanced adsorption of Co²⁺ ions on SiC, but preferential cesium adsorption occurred simultaneously. The last phenomena resulted in cesium incorporation in the composite coating. Surface charge of SiC powder and amounts of functional groups on SiC surface were determined. The particles incorporation into deposits was only little dependent on cesium concentration in the bath. Structure of the composite coatings was studied by microscopic observations. Microhardness of the deposits was also determined.     

Hetergeneous-nucleation synthesis of monodisperse ε-cobalt nanoparticles using palladium seeds

Monodisperse bimetallic Pd–Co nanoparticles were prepared via a thermal decomposition of cobalt carbonyl using palladium seeds at the Pd/Co molar ratios 0.5%, 1%, and 5%. The heterogeneously nucleated nanoparticles without any size-selective precipitation are sufficiently uniform to self-assemble into ordered arrays. The as-synthesized nanoparticles are each a single crystal with a complex cubic structure called ε-Co. The presence of Pd seeds seems to improve the stability of Co nanoparticles against oxidation based on the results from time-dependent magnetization measurement.     

Thermodynamic model of crystallization and melting of small particles

The size dependence of the nanocrystal melting temperature has been investigated based on a nonequilibrium thermodynamics approach. An expression has been derived for the melting temperature that, contrary to the classical Tomson formula, takes into account the metastable character of the crystal nucleus-melt shell equilibrium. Quantitative estimations have been carried out for small spherical particles of aluminum, tin, and lead.     

Cooling rate effects on structure and thermodynamics of amorphous nanoparticles

Cooling rate effects on structure and thermodynamics of amorphous nanoparticles were studied in a spherical model using Molecular Dynamics (MD) method. The good equilibrium melts are cooling down by three different cooling rates in order to observe the cooling rate effects. We find that cooling rate effects on thermodynamic quantities such as potential energy and surface energy are more pronounced than those for static quantities. Microstructure of amorphous nanoparticles is analyzed via radial distribution function (RDF) and coordination number distributions. Relatively weak cooling rate effects on such quantities are found. Microstructure of surface and core of amorphous nanoparticles are analyzed.