温度对金属纳米线势能分布的影响

采用三维分子动力学模拟方法,以面心立方金属银为研究对象,基于Finnis-Sinclair型嵌入原子法(EAM)多体势,模拟研究了纳米线势能分布特征在常温下及其在不同温度直到熔化过程中的变化,给出了常温及不同温度银纳米线势能分布比例和势能分布函数.结果表明:常温下,纳米线高势能原子比例随纳米线横截面尺寸的减小而增大,势能分布函数曲线各峰位几乎与纳米线横截面尺寸无关;纳米线熔化前的势能分布函数曲线具有多个波峰,随着温度增加,峰数减少且峰位右移;熔化后,多峰特征消失,只有一个宽化的峰.     

Growth and melting behaviour of thin in films on Ge(100)

Growth and melting behaviour of thin indium films on Ge(100) have been investigated by Auger-electron spectroscopy (AES), atomic force microscopy (AFM) and perturbed angular correlation (PAC) spectroscopy, respectively. At room temperature inidium is found to grow in three-dimensional islands even at submonolayer coverages. A very rough film surface is observed for thicknesses up to 230 ML. The melting behaviour of such films has been studied by PAC. A reduction of the melting temperature T _m as well as a strong supercooling of the films is observed. The electric field gradient for ¹¹¹In(¹¹¹Cd) in the indium islands is determined as a function of temperature and is used to monitor the local crystalline order of the films up to temperatures just below the melting point.     

Monovacancy formation energy in copper,silver, and gold by positron annihilation

Monovacancy formation energies in copper, silver, and gold have been deduced from the temperature variation of the peak counting rate in the angular correlation curve of positron annihilation radiation from these metals. The counting rate was temperature dependent over the entire temperature range, including temperatures so low that no trapping of positrons at vacancies is effective. At these temperatures the increase in counting rate results from thermal expansion of the lattice. By separating this thermal expansion effect from the vacancy trapping effect at higher temperatures, we obtained values for the monovacancy formation energyE _1v for copper, silver, and gold to 1.29±0.02 eV, 1.16±0.02 eV, and 0.97±0.01 eV, respectively.     

Pulsed laser deposition of metals at target temperatures close to the melting point

Tin and bismuth metals are irradiated by KrF excimer laser pulses of fluences around 5 J/cm². Supressing the formation of surface inhomogeneities on the target is achieved by increasing the target temperature to close to its melting point. The characteristics of surface structures developed on targets ablated at room temperature and heated to approximately 40 °C below the melting point of the respective metal, are presented. Optical microscopy is used to follow the changes in the surface morphology of the deposited films, and especially in the surface number density of particulates. Approaching the melting point of the tin target resulted in a threefold decrease in surface number density of particulates, while for bismuth only a slight decrease was obtained. In the latter case, the anisotropic growth properties of bismuth precluded the effective smoothing of certain domains on the target surface, even at temperatures close to its melting point.     

Differential scanning calorimetric investigations of naturally dehydrated aqueous sucrose solutions

Abstract

Differential scanning calorimetric investigations have been conducted on sucrose solutions for temperatures T<?100°C and in the sucrose concentration range 74 < c < 97. A novel method is adopted for sample preparation. For c > 92, the room temperature phase is amorphous, as indicated by its x-ray diffraction pattern. A melting transition is reported for the first time for these concentrations. A second-order phase transition is recorded for T < 0°C, which is clearly observed only during heating cycles, indicating a continuous phase transition during cooling. These transitions have not been reported so far, suggesting that the phase formed due to the procedure adopted for sample preparation may be different from that reported in the literature.     

High-pressure,high-temperature thermophysical measurements on liquid metals

Abstract

Metal-samples are investigated as pan of a submicrosecond resistive pulse heating system up to temperatures of about 10.000 K and ambient pressures up to 0.5 GPa. The measuremnts allow the determination of such thermophysical properties as heat capacity and the mutual dependences between enthalpy, electrical resistivity, temperature and volume. Up to now investigations have been done on the following elements: C, W, Re, Ta, Mo, Nb, Fe, Ni, Cu, Pb, In, and Hg. From the investigations at elevated pressures an estimation of the critical point data of the metals lead and indium can be given.     

Titanium Melting Curve: Data Consistency Assessment,Problems and Achievements

Experimental data for the thermodynamic properties of titanium on the melting curve in the pressure range from atmospheric value to 90 GPa are analyzed and brought into correspondence. The problems that have been considered are (i) the lack of data for the solid β-phase density near the normal melting point and (ii) the formation probability of a triple point on the melting curve for the coexisting β-, ω-, and liquid phases of titanium. To estimate the change of the volume upon melting 3d elements from Mendeleev’s periodic system, a correlation between the change of the volume, ΔV _m , and the change of the entropy, ΔS _m , on the melting curve at atmospheric pressure is suggested and effectively used.     

Constrained thermal denaturation of DNA under fixed linking number

A DNA molecule with freely fluctuating ends undergoes a sharp thermal denaturation transition upon heating. However, in circular DNA chains and some experimental setups that manipulate single DNA molecules, the total number of turns (linking number) is constant at all times. The consequences of this additional topological invariant on the melting behaviour are nontrivial. Below, we investigate the melting characteristics of a homogeneous DNA where the linking number along the melting curve is preserved by supercoil formation in duplex portions. We obtain the mass fraction and the number of loops and supercoils below and above the melting temperature. We also argue that a macroscopic loop appears at T _c and calculate its size as a function of temperature.     

Estimation of melting critical point parameters

Melting is considered using a model of the equation of state proposed for the nonrelativistic range. A critical point in the melting curve calculated for copper is found. Based on an approximate expression for the shear modulus, the pressure at the critical point is estimated for most elements. It is shown that this pressure falls into the range 1 Mbar-1 Gbar, being much lower for readily compressible elements, helium, and alkaline metals (for them, P ∼ 1 Mbar). The possibility of existence and finding of the critical point is discussed.     

Correlation Between Structural and Dynamic‐Mechanical Transitions of Different Syndiotactic Polypropylene Polymorphs

Abstract

We prepared several well‐characterized syndiotactic polypropylene (sPP) polymorphs so as to correlate their thermal and dynamic‐mechanical behaviors. A sample was crystallized in pure form I at 100°C; a second sample containing only the trans‐planar mesophase was prepared by directly drawing a quenched sample at 0°C; a third sample, drawn at room temperature, contained both the trans‐planar mesophase and a fraction of the helical form II. By annealing this sample at increasing temperatures, we obtained a series of samples containing either trans‐planar mesophase, or form II and form I crystallinities.

In the dynamic‐mechanical analysis, the sample containing form I crystallinity showed only the amorphous glass transition, at 19°C, before melting at a high temperature. The trans‐planar mesophase transformed, at temperatures higher than 50°C, into the helical forms, and this transition was completed at 80°C. The dynamic mechanical curve of the sample containing only the mesophase showed a peak, centered at 50°C, which could be clearly associated to this transition. The sample containing the trans‐planar mesophase and the helical form II, showed in the dynamic‐mechanical curve a third peak that can be associated with the melting recrystallization of form II into the most stable form I. These results are important, because it was possible to directly correlate the structural transitions of the sPP polymorphs to the dynamic‐mechanical behavior. Moreover, a dynamic‐mechanical analysis could help recognize the presence of the trans‐planar mesophase or of the helical form II in more complex structural organizations.     

The effect of molecular weight on the structure and thermal properties of polyethylene

The morphology of polyethylene single crystals prepared isothermally in solution was found to be independent of molecular weight. The enthalpy of fusion, lamellar fold period, and optical appearance were invariant for samples grown from fractions ranging from 20,000 to 2,000,000 in molecular weight. The mass fraction of lamellae which thicken during heating decreased linearly with increasing log molecular weight. The melting temperature of the crystals was also nearly independent of molecular weight.

The superheating of polyethylene crystals was observed to be a function of molecular weight and morphology. At a comparatively high molecular weight the heating rate of the calorimeter exceeded the crystal melting rate, which shifted the observed melting temperature to an anomalously high value. The incorporation of defects within the crystals by irradiation-induced cross-links or chain entanglements increased the melting rate of the high molecular weight samples and thereby minimized the effects of superheating.

The apparent heat of fusion of melt crystallized polyethylene decreased linearly with increasing log molecular weight. In contrast to this behavior the crystallinity of single crystals from dilute solution was independent of molecular weight.

In previous papers we have shown that reorganization of polymer single crystals is suppressed by cross-linking [1—3]. With the appropriate selection of heating rate and irradiation dose, the melting temperatures of solution grown crystals of various morphologies were determined in the absence of lamellar thickening. The observed melting temperatures of polyethylene single crystals with different X-ray fold periods were found to fit the following expression:

T_m = T_m0[1—2σ_e/H_f?] with an equilibrium melting temperature (T_m0) of 145.8 ± 1.0°C and a surface free energy (σ_e) of 89 ± 5 ergs cm^?2 for a polyethylene crystal of infinite dimensions. In addition, at a constant heating rate it was observed that the fraction of crystals which thickened prior to melting decreased with increasing fold period.

Since cross-linking polyethylene increases the molecular weight of the material, it is instructive to investigate the reorganization characteristics of single crystals prepared from polyethylene fractions. Single crystals were prepared in xylene from molecular weight fractions of polyethylene and the effect of molecular weight upon the structure and thermal properties of the crystals was determined.     

Magnetic susceptibility of solid and liquid metals

Apparatus for the measurement of the magnetic susceptibilities of solid and liquid metals at temperatures up to 800°C is described. Prior to studying the susceptibilities of various metals through the melting point, the apparatus was tested by measuring the susceptibilities of tin and lead at room temperature, and the temperature dependences of susceptibility of several pure copper specimens enclosed in quartz bulbs. For copper, in the temperature range 20°C to 700°C,? _χ /?T = 1.9₂ × 10^?11 emu/g · deg C. This result is discussed in terms of the change of electronic susceptibility with volume expansion.     

Melting curve of NaCl0.5Br0.5 up to 4.5 GPa

Abstract

The melting curve of NaCl_0.5Br_0.5 has been measured under pressure up to 4.5 GPa. The melting temperatures of Ag and NaCl have been used to determine the pressure in the sample at its melting temperature.     

Thermo-optical response of layered Bi nanostructures produced by pulsed laser deposition

This work reports optical transmission changes in layered Bi nanostructures (NSs) upon heating-cooling cycles up to temperatures above the melting temperature. The nanostructured films prepared by pulsed laser deposition consist of Bi NSs with different characteristic sizes that are organised in layers and embedded in an amorphous Al₂O₃ host. The spectral dependence of the optical transmission as well as its changes upon heating are reported. The combination of Bi NSs layers with more than one characteristic size allows controlling the width of the melting-solidification transition. Eventually, it is shown how a multiple temperature thermo-optical film can be designed and prepared.     

Transition processes occurring under continuous and stepwise heating of GaAs surface-barrier structures

Evolution of the capacitance-voltage (C-U) and current-voltage (I _f-U and I _r-U) characteristics of solid metal-semiconductor structures (Ni/GaAs) in the process of their continuous and stepwise heating are studied. Properties of the initial structures obey the theory of thermionic emission. It has been shown that as a result of continuous heating, the rectifying structures become ohmic at a temperature of T _Ohm=720 K, which is substantially lower than the melting points of the metal or the metal-semiconductor eutectic. For comparison, properties of the structures annealed at different temperatures T _ann are measured after cooling to room temperature (stepwise heating). In this case, I-U characteristics are closer to the initial ones for annealing temperatures T _ann<T ₀=553 K; for T _ann>T ₀, the characteristics display excess currents; and, finally, for T _ann exceeding T ₀ by 200–300 K, the characteristics become purely ohmic. It is suggested that these effects are due to a chemical interaction between Ni and GaAs, which changes the properties of the semiconductor surface.     

Melting of polymer single crystals studied by dynamic Monte Carlo simulations

We report dynamic Monte Carlo simulations of lattice polymers melting from a metastable chain-folded lamellar single crystal. The single crystal was raised and then melted in an ultrathin film of polymers wetting on a solid substrate, mimicking the melting observations made by using Atomic Force Microscopy. We observed that the thickness distribution of the single crystal appears quite inhomogeneous and the thickness increases gradually from facetted edges to the center. Therefore, at low melting temperatures, melting stops at a certain crystal thickness, and melting-recrystallization occurs when allowing crystal thickening; at intermediate temperatures, melting maintains the crystal shape and exhibits different speeds in two stages; at high temperatures, fast melting makes a melting hole in the thinnest region, as well as a saw-tooth-like pattern at the crystal edges. In addition, the linear melting rates at low temperatures align on the curve extrapolated from the linear crystal growth rates. The temperature dependence of the melting rates exhibits a regime transition similar to crystal growth. Such kinetic symmetry persists in the melting rates with variable frictional barriers for c -slip diffusion in the crystal as well as with variable chain lengths. Visual inspections revealed highly frequent reversals upon melting of single chains at the wedge-shaped lateral front of the lamellar crystal. We concluded that the melting kinetics is dominated by the reverse process of intramolecular secondary crystal nucleation of polymers.     

Disorder-Order-Crystalline State Transitions of PEO-b-PPO-b-PEO Copolymers and their Blends: SAXS/WAXS/DSC Study

The structure in the symmetrical triblock copolymers PEO-b-PPO-b-PEO and their blend with PEO, studied by small angle x-ray scattering (SAXS), wide angle x-ray scattering (WAXS), and differential scanning calorimetry (DSC), pass from melt to the solid state on cooling. On subsequent heating back to the melt, they pass through disordered and ordered molten states, crystalline structure, and finally back to a disordered melt state. At high temperatures these systems are in the melt in the disordered state approximately described by the mean-field theory. The characteristic lengths of these systems, obtained from SAXS, are proportional to R _g . At lower temperatures, their structure changes to a disordered state which can be described by the concentration fluctuation theory. During cooling, the disordered melt structure changes abruptly into the ordered melt structure. The crystallization destroys this melt structure, forming a new lamellar structure with different periodicity. During heating near the melting point, lamellar periodicity increases very steeply. After melting, the crystalline structure transforms directly to the disordered state.     

Defect annealing in the hexagonal close packed heavy rare earth metals Gd,Tb, Dy,Ho, Er,Tm and Lu after electron irradiation at low temperatures

The recovery spectra of the heavy rare earths Gd, Tb, Dy, Ho, Er and Tm were determined after irradiation with electrons at low temperatures. In the cases of Er and Tm, strong thermal cycling phenomena were observed and attributed to hydrogen atoms changing configurations and interacting with the magnetic structure of the metal. After elimination of these effects in Er and Tm, all the spectra—together with those of the earlier treated Lu—had rather similar form: several close-pair peaks followed by a broad complex substage resembling the stage I _D in f.c.c metals and attributed to long-range interstitial migration. A correlation is found between the temperature of the maximum of this substage (normalized to the melting temperature) and the c/a-ratio of the metals.