The Influence of Grain Size and Temperature on the mechanical Deformation of Nanocrystalline Materials: Molecular Dynamics Simulation

Nanocrystalline (nc) materials are characterized by a typical grain size of 1-100nm. The uniaxial tensile deformation of computer-generated nc samples, with several average grain sizes ranging from 5.38 to 1.79nm, is simulated by using molecular dynamics with the Finnis-Sinclair potential. The influence of grain size and temperature on the mechanical deformation is studied in this paper. The simulated nc samples show a reverse Hall-Petch effect. Grain boundary sliding and motion, as well as grain rotation are mainly responsible for the plastic deformation. At low temperatures, partial dislocation activities play a minor role during the deformation. This role begins to occur at the strain of 5%, and is progressively remarkable with increasing average grain size. However, at elevated temperatures no dislocation activity is detected, and the diffusion of grain boundaries may come into play.

Dislocations And Twins In Nanocrystalline Ni After Severe Plastic Deformation: The Effects Of Grain Size

Deformation microstructures have been investigated in nanocrystalline (nc) Ni with grain sizes in the 50-100 nm range. It was found that deformation twinning started to occur in grains of similar to 90 nm, and its propensity increased with decreasing grain size. In most of the nc grains dislocations were observed as well, in the form of individual dislocations and dipoles. It is concluded that dislocation-mediated plasticity dominates for grain sizes in the upper half, i.e. 50-100 nm, of the nanocrystalline regime. (C) 2007 Published by Elsevier B.V.

Effect of grain size on slow fatigue crack propagation and plastic deformation near crack tip

Fatigue crack growth and its threshold are investigated at a stress ratio of 0.5 for the three-point bend specimen made of Austenitic stainless steel. The effect of grain size on the crack tip plastic deformation is investigated. The results show that the threshold value Δkth increases linearly with the square root of grain size d and the growth rate is slower for materials with larger grain size. The plastic zone size and ratio for different grain sizes are different at the threshold. The maximum stress intensity factor is kmax and σys is the yield strength. At the same time, the characteristics of the plastic deformation development is discontinuous and anti-symmetric as the growth rate is increased from 2·10—8 to 10−7 mm/cycle.

Dislocations and twins in nanocrystalline Ni after severe plastic deformation: the effects of grain size

Deformation microstructures have been investigated in nanocrystalline (nc) Ni with grain sizes in the 50-100 nm range. It was found that deformation twinning started to occur in grains of similar to 90 nm, and its propensity increased with decreasing grain size. In most of the nc grains dislocations were observed as well, in the form of individual dislocations and dipoles. It is concluded that dislocation-mediated plasticity dominates for grain sizes in the upper half, i.e. 50-100 nm, of the nanocrystalline regime. (C) 2007 Published by Elsevier B.V.

Simulations of Mechanical Behavior of Polycrystalline Copper with Nano-Twins

Mechanical behavior and microstructure evolution of polycrystalline copper with nano-twins were investigated in the present work by finite element simulations. The fracture of grain boundaries are described by a cohesive interface constitutive model based on the strain gradient plasticity theory. A systematic study of the strength and ductility for different grain sizes and twin lamellae distributions is performed. The results show that the material strength and ductility strongly depend on the grain size and the distribution of twin lamellae microstructures in the polycrystalline copper.

Deformation Twinning In Bulk Nanocrystalline Metals: Experimental Observations

Deformation twins have been observed in nanocrystalline (nc) fcc metals with medium-to-high stacking fault energies such as aluminum, copper, and nickel. These metals in their coarse-grained states rarely deform by twining at room temperature and low strain rates. Several twinning mechanisms have been reported that are unique to nc metals. This paper reviews experimental evidences on deformation twinning and partial dislocation. emissions from grain boundaries, twinning mechanisms, and twins with zero-macro-strain. Factors that affect the twinning propensity and recent analytical models on the critical grain sizes for twinning are also discussed. The current issues on deformation twinning in nanocrystalline metals are listed.

脉冲激光晶化非晶硅薄膜的有限差分模拟

根据热传导原理，建立了脉冲激光晶化非晶硅薄膜的理论模型。运用有限差分方法研究了不同激光波长、能量密度等因素对薄膜温度变化及相变过程的影响。计算了不同波长激光器对厚度500nm非晶硅晶化的阈值能量密度。结果发现，准分子晶化的阈值能量密度最低，但是在同样的能量密度下，熔融深度却不及使用更长波长的激光器。计算并分析了升高衬底温度对结晶速度和晶粒尺寸的影响，模拟结果较好地验证了实验结论和规律。

Diode-pumped passively q-switched Nd : YAG ceramic laser with a Cr4+: YAG crystal-satiable absorber

Transparent polycrystalline Nd:YAG ceramics were fabricated by solid-state reactive sintering a mixture of commercial Al2O3,Y2O3, and Nd2O3 powders. The powders were mixed in ethanol and doped with 0.5 wt% tetraethoxysilane, dried, and pressed. Pressed samples were sintered at 1750 degrees C in vacuum. Transparent fully dense samples with average grain sizes of 10 mu m were obtained. The 1 at.% Nd:YAG ceramic was used to research passively Q-switched laser output with a Cr4+:YAG crystal as a saturable absorber. An average output power of 94 mW with a pulse width of 50 ns was obtained when the incident pump power was 750 mW. The slope efficiency was 13%. The pulse energy is 5 mu J, and the peak power is about 100 W.

Diode-pumped Yb : YAG ceramic laser

Transparent polycrystalline Yb:YAG ceramics were fabricated by solid-state reactive sintering a mixture of commercial Al2O3, Y2O3, and Yb2O3 powders. The powders were mixed in ethanol and doped with 0.5 wt% tetraethoxysilane, dried, and pressed. Pressed samples were sintered at 1730 degrees C in vacuum. Transparent fully dense samples with grain sizes of several micrometers were obtained. The phase from 1500 degrees to 1700 degrees C was important for the grain growth, in which the grains grew quickly and a mass of pores were eliminated from the body of the sample. Annealing was an important step to remove the vacancies of oxygen and transform Yb2+ to Yb3+. The 1 at.% Yb:YAG ceramic sample was pumped by a diode laser to study the laser properties. The maximum output power of 1.02 W was obtained with a slope efficiency of 25% at 1030 nm. The size of the lasering sample was 4 mm x 4 mm x 3 mm.

LiGaO_2衬底上ZnO外延膜的结构与光学特性

采用磁控溅射法在(001)、(100)及(010)LiGaO2衬底上制备了ZnO薄膜,通过X射线衍射(XRD)、原子力显微镜(AFM)、透过光谱以及光致发光谱(PL)对薄膜的结构、形貌及光学性质进行了表征。结果表明LiGaO2衬底不同晶面上制备的ZnO薄膜具有不同的择优取向,在(001)(、100)及(010)LiGaO2上分别获得了[0001][、1100]及[1120]取向的ZnO薄膜;不同取向的ZnO薄膜表面形貌差异较大;薄膜在可见光波段具有较高的透过率;在ZnO薄膜的光致发光谱中只观察到了位于378 nm的紫外发射峰,而深能级发射几乎观察不到,(1100)取向的薄膜紫外发射峰强度最大,半高宽也最小,薄膜光致发光性质的差异主要和晶粒尺寸有关。

Y_2O_3稳定ZrO_2薄膜的结构和光学特性

用电子束蒸发法制备出四种不同Y2O3含量的Y2O3稳定ZrO2（YSZ）薄膜,用X射线衍射和透射光谱测定薄膜的结构和光学性能.结果表明：随着Y2O3含量的增加,ZrO2薄膜从单斜相向高温相（四方相和立方相）转变,获得了结构稳定的YSZ薄膜;YSZ薄膜的晶粒尺寸都比ZrO2薄膜的大,但随着Y2O3加入量的增加,晶粒尺寸有减小的趋势,薄膜表面也趋向光滑平整.所有YSZ薄膜的透射谱线都与ZrO2薄膜相似,在可见光和红外光区都有较高的透过率.Y2O3的加入还可以改变薄膜的折射率,在一定范围内可得到所需的任意折射率

基底温度对直流磁控溅射ITO透明导电薄膜性能的影响

用直流磁控溅射法制备透明导电锡掺杂氧化铟(ITO)薄膜,靶材为ITO陶瓷靶,组分为m(In2O3):m(SnO2)=9∶1。运用分光光度计、四探针测试仪研究了基底温度对薄膜透过率、电阻率的影响,并用X射线衍射(XRD)仪对薄膜进行结构分析。计算了晶面间距和晶粒尺寸,分析了薄膜的力学性质。实验结果表明,在实验设备条件下,直流磁控溅射ITO陶瓷靶制备ITO薄膜时,适当的基底温度(200℃)能在保证薄膜85%以上高可见光透过率下,获得最低的电阻率,即基底温度有个最佳值。薄膜的结晶度随着基底温度的提高而提高。

Sedimentary records of water environment in lake Chaohu in the Yangtze delta region, China

Three lacustrine core samples were collected from Chaohu lake in December 2002 in the Yangtze delta region. The grain sizes were analyzed using a Laser Analyzer to obtain grain-size parameters. Sediment geochronology was determined in radioisotopes Cs-137 and the average sedimentary rates are 0.29cm.a(-1), 0.35 cm.a(-1) and 0.24cm-a(-1) in Cores C 1, C2 and C3, respectively. The grain-size parameters of the deposits vary regularly with the fluctuation of hydrodynamics. From 1950s to the beginning of 20th century, coarse-grained sediment was deposited, suggesting strong hydraulic conditions and high water-level periods with much precipitation; from the start of 20(th) century to latter half of 18(th) century, fine-grained sediment was deposited, indicating that weak hydraulic conditions and low water-level periods with less precipitation; before the first half of 18(th) century, coarse-grained sediment was deposited, suggesting great velocity of flow and high water-level periods of more precipitation.

Light-induced changes in diphasic nanocrystalline silicon films and solar cells

A series of diphasic nanocrystalline silicon films and solar cells was prepared using different hydrogen dilution ratios of silane by very high frequency plasma enhanced chemical vapor deposition (VHF-PECVD). It was observed that after light soaking the open circuit voltage (V-oc) of the diphasic solar cells increased, while that of amorphous silicon solar cells decreased. Raman scattering spectroscopy was performed on the series of diphasic silicon films before and after light soaking. It was found that after light soaking the nanostruclures in the diphasic nanocrystalline silicon films were changed. Both the grain sizes and grain volume fraction reduced, while the grain boundary components increased. These results provide experimental evidence for the conjecture that the light-induced increase in V-oc of the diphasic nanocrystalline solar cells might be induced by the changes in the nanostructure of the intrinsic layer. (c) 2006 Elsevier B.V. All rights reserved.

Light-induced changes in diphasic nanocrystalline silicon films and solar cells

A series of diphasic nanocrystalline silicon films and solar cells was prepared using different hydrogen dilution ratios of silane by very high frequency plasma enhanced chemical vapor deposition (VHF-PECVD). It was observed that after light soaking the open circuit voltage (V-oc) of the diphasic solar cells increased, while that of amorphous silicon solar cells decreased. Raman scattering spectroscopy was performed on the series of diphasic silicon films before and after light soaking. It was found that after light soaking the nanostruclures in the diphasic nanocrystalline silicon films were changed. Both the grain sizes and grain volume fraction reduced, while the grain boundary components increased. These results provide experimental evidence for the conjecture that the light-induced increase in V-oc of the diphasic nanocrystalline solar cells might be induced by the changes in the nanostructure of the intrinsic layer. (c) 2006 Elsevier B.V. All rights reserved.