First-principles analysis of electron correlation, spin ordering and phonons in the normal state of FeSe1-x

We present first-principles density-functional-theory-based calculations to determine the effects of the strength of on-site electron correlation, magnetic ordering, pressure and Se vacancies on phonon frequencies and electronic structure of FeSe1-x. The theoretical equilibrium structure (lattice parameters) of FeSe depends sensitively on the value of the Hubbard parameter U of on-site correlation and magnetic ordering. Our results suggest that there is a competition between different antiferromagnetic states due to comparable magnetic exchange couplings between first- and second-neighbor Fe sites. As a result, a short range order of stripe antiferromagnetic type is shown to be relevant to the normal state of FeSe at low temperature. We show that there is a strong spin-phonon coupling in FeSe (comparable to its superconducting transition temperature) as reflected in large changes in the frequencies of certain phonons with different magnetic ordering, which is used to explain the observed hardening of a Raman-active phonon at temperatures (similar to 100 K) where magnetic ordering sets in. The symmetry of the stripe antiferromagnetic phase permits an induced stress with orthorhombic symmetry, leading to orthorhombic strain as a secondary order parameter at the temperature of magnetic ordering. The presence of Se vacancies in FeSe gives rise to a large peak in the density of states near the Fermi energy, which could enhance the superconducting transition temperature within the BCS-like picture.

Effect of electro-mechanical coupling on actuation behavior of a carbon nanotube cellular structure

We demonstrate the effect of mechanical strain on the electrostrictive behavior of catalytically grown cellular structure of carbon nanotube (CNT). In the small strain regime, where the stress-strain behavior of the material is linear, application of an electric-field along the mechanical loading direction induces an instantaneous increase in the stress and causes an increase in the apparent Young's modulus. The instantaneous increase in the stress shows a cubic-polynomial dependence on the electric-field, which is attributed to the non-linear coupling of the mechanical strain and the electric-field induced polarization of the CNT. The electrostriction induced actuation becomes >100 times larger if the CNT sample is pre-deformed to a small strain. However, in the non-linear stress-strain regime, although a sharp increase in the apparent Young's modulus is observed upon application of an electric-field, no instantaneous increase in the stress occurs. This characteristic suggests that the softening due to the buckling of individual CNT compensates for any instantaneous rise in the electrostriction induced stress at the higher strains. We also present an analytical model to elucidate the experimental observations. (C) 2013 Elsevier Ltd. All rights reserved.

加卸载响应比理论用于矿震预测的初步研究

加卸载响应比(LURR)理论是～种前景很好的中期地震预测方法，通常在强烈地震发生前的数月至l～2年I．URR出现高值，因而I。URR可以作为强烈天然地震的前兆，用此方法曾经成功地预测过Northridge地震(1 994年1月17日，M6．7，美国加州)，Nanto地震(1 996年9月11日，M6．6，日本)及不少发生在中国的天然地震。用房山煤矿1 992年8月至1993年7月的微震资料,计算了全年内7组M>2．1矿震前的加卸载响应比γ值，其中5组矿震前γ值均明显大于l(γ≥2 9)。以上结果表明，加卸载响应比理论有可能用于矿震的预测。

Edge and Size Effects in Micro Composite Structure

Because of the load transfer effect of interface layer, the stress distribution inside the composite structure of film/substrate can be very different from the Timoshenko's model. In this paper, we give the derivation and analysis of such load transfer effect of shear-lag (S-L) model. The micro-structure size (boundary conditions) effect together with interface load transfer effect becomes more and more important as the microstructure size including the three dimensions of thickness, width and length shrinks. The microstructure size is also responsible for the so-called edge-induced stress. The edge effect and difference of S-L model and Timoshenko model are also demonstrated.

热容型板条激光器的感应折射率计算

高平均功率固体激光器的增益介质由于受热而容易发生畸变,如常用材料YAG,波前畸变和去偏振现象会同时发生,高热负载固体激光介质的热效应已成为制约激光器输出功率进一步提高的严重障碍。给出一种计算热容型板条激光器热感生折射率的方法。把YAG晶体的四阶压光张量从晶胞坐标系转换到实验室坐标系,采用经过坐标转换后的新的张量,可以分析在YAG激光器中任意应力分布引起的热感应双折射。进一步的计算表明,在zigzag板条激光器中,应力双折射率与板条从晶体毛胚上切割成材的角度有关。同时也对热容板条激光器的热效应和应力特性进行了二维的理论性概述。

锯齿形板条抽运结构的热效应数值比较

激光二极管抽运的全固态激光器中,除了激光介质的温度分布和热透镜效应以外,抽运、冷却结构对获得高光束质量、高功率激光输出至关重要。基于热传导方程,在相同的抽运功率和传导冷却边界条件下,对单侧面抽运锯齿形(zigzag)板条、单侧面键合锯齿形板条、部分抽运板条三种不同抽运结构的温度分布、热致应力、温度导致的折射率变化进行了详细的分析,并通过光线追迹方法,比较了光束在锯齿形面内和垂直于锯齿形面内的光程差,由光程差曲线分析了激光束的热透镜效应。对三种抽运结构的端面温度、端面变形和端面变形导致的光程差也进行了对比分

Growth of crack-free AlGaN film on thin AlN interlayer by MOCVD

We have studied the effect of low-temperature-deposited (LT) and high-temperature-deposited (FIT) AlN interlayer with various thickness on AlGaN film grown on GaN using c-plane sapphire as substrate. All the Al0.25Ga0.75N films thicker than 1 mum with LT-AlN interlayer or with HT-AlN interlayer were free of cracks, however, their surfaces were different: the Al0.25Ga0.75N films with LT-AlN interlayer showed smooth surface, while those with HT-AlN interlayer exhibit rough surface morphology. The results of X-ray double crystal diffraction and Rutherford backscattering showed that all of the AlGaN films were under compressive strain in the parallel direction. The compressive strain resulted from the effect of interlayer-induced stress relieving and the thermal mismatch for the samples with LT-AlN interlayer, and it was due to the thermal mismatch between AlGaN and the underlying layers for those with HT-AlN interlayer. (C) 2004 Elsevier B.V. All rights reserved.

Crack-free GaN/Si(111) epitaxial layers grown with InAlGaN alloy as compliant interlayer by metalorganic chemical vapor deposition

A new method is demonstrated to be effective in reducing mismatch-induced tensile stress and suppressing the formation of cracks by inserting InAlGaN interlayers during the growth of GaN upon Si (1 1 1) substrate. Compared with GaN film without quaternary interlayer, GaN layer grown on InAlGaN compliant layers shows a five times brighter integrated PL intensity and a (0 0 0 2) High-resolution X-ray diffraction (HRXRD) curve width of 18 arcmin. Its chi(min), derived from Rutherford backscattering spectrometry (RBS), is about 2.0%, which means that the crystalline quality of this layer is very good. Quaternary InAlGaN layers, which are used as buffer layers firstly, can play a compliant role to endure the large mismatch-induced stress and reduce cracks during the growth of GaN epitaxy. The mechanisms leading to crack density reduction are investigated and results show that the phase immiscibility and the weak In-N bond make interlayer to offer tenability in the lattice parameters and release the thermal stress. (c) 2005 Elsevier B.V. All rights reserved.

岩石中地震波速度和衰减的应力变化响应研究

Stress change is one of key factors in seismic nucleating and triggering; therefore for understanding and forecasting earthquakes, it is necessary to research on stress status and its changes in rocks. Propagating in underground structures, wave velocity and attenuation contain information on stress changes of the Earth’s interior. For a better understanding of relationship between seismic data and stress changes, modeling and ultrasonic test supply significant references. In this article, acoustoelastic theory is introduced to explain nonlinear elastic characteristics of rocks. Based on the acoustoelastic theory, a solid-fluid coupled model is given to calculate velocity under different stress for porous and liquid fulfilled rocks. Except for the stress-velocity relationship, effects of pore pressure induced stress changes on ultrasonic coda attenuation are also studied. Intrinsic attenuation quality factors are calculated for a comparison purpose. Finally, the relationship between elastic constants and stress changes is thoroughly investigated, a mixture model from two phases of Hooke media is introduced to explain the differences between dynamic and static moduli, a relation among wave length, wave velocities and elastic moduli considering dimension of microstructure, dimension and state of surface between phases is presented. The most important aspect of this work is exploring and establishing relationships between the seismic properties of rocks and changes of their stress conditions, which will have its application in earthquake forecast and seismic hazard.

Modelling the Performance of Flexible Substrates for Lead-Free Applications

In this paper, the performance of flexible substrates for lead-free applications was studied using finite element method (FEM). Firstly, the thermal induced stress in the flex substrate during the lead free solder reflow process was predicted. The shear stress at the interface between the copper track and flex was plotted. This shear stress increases with the thickness of the copper track. Secondly, an ACF flip chip was taken as a typical lead-free application of the flex substrate. The reflow effect on the reliability of ACF interconnections was analyzed. Higher stress was identified along the interface between the conductive particle and the metallization, and the interfacial stress increases with the reflow peak temperature and the coefficient of thermal expansion (CTE) of the adhesive. The moisture effect on the reliability of ACF joints were studied using a macro-micro modeling technique, the predominantly tensile stress found at the interface between the conductive particle and metallization could reduce the contact area and even cause the electrical failure. Modeling results are consistent with the findings in the experimental work

Analyzing the performance of flexible substrates for lead-free applications

The performance of flexible substrates for lead-free applications was studied using finite element method (FEM). Firstly, the thermal induced stress in the flex substrate during the lead free solder reflow process was predicted. The shear stress at the interface between the copper track and flex was plotted. This shear stress increases with the thickness of the copper track and the thickness of the flex. Secondly, an anisotropic conductive film (ACF) flip chip was taken as a typical lead-free application of the flex substrate and the moisture effect on the reliability of ACF joints were studied using a 3D macro-micro modeling technique. It is found that the time to be saturated of an ACF flip chip is much dependent on the moisture diffusion rate in the polyimide substrate. The majority moisture diffuses into the ACF layer from the substrate side rather than the periphery of the ACF. The moisture induced stress was predicted and the predominant tensile stress was found at the interface between the conductive particle and metallization which could reduce the contact area and even cause the electrical failure

Specific growth rate plays a critical role in hydrogen peroxide resistance of the marine oligotrophic ultramicrobacterium Sphingomonas alaskensis strain RB2256

The marine oligotrophic ultramicrobacterium Sphingomonas alaskensis RB2256 has a physiology that is distinctly different from that of typical copiotrophic marine bacteria, such as Vibrio angustum S14. This includes a high level of inherent stress resistance and the absence of starvation-induced stress resistance to hydrogen peroxide. In addition to periods of starvation in the ocean, slow nutrient-limited growth is likely to be encountered by oligotrophic bacteria for substantial periods of time. In this study we examined the effects of growth rate on the resistance of S. alaskensis RB2256 to hydrogen peroxide under carbon or nitrogen limitation conditions in nutrient-limited chemostats. Glucose-limited cultures of S. alaskensis RB2256 at a specific growth rate of 0.02 to 0.13 h(-1) exhibited 10,000-fold-greater viability following 60 min of exposure to 25 mM hydrogen peroxide than tells growing at a rate of 0.14 h(-1) or higher. Growth rate control of stress resistance was found to be specific to carbon and energy limitation in this organism. In contrast, V. angustum S14 did not exhibit growth rate-dependent stress resistance. The dramatic switch in stress resistance that was observed under carbon and energy limitation conditions has not been described previously in bacteria and thus may be a characteristic of the oligotrophic ultramicrobacterium, Catalase activity varied marginally and did not correlate with the growth rate, indicating that hydrogen peroxide breakdown was not the primary mechanism of resistance. More than 1,000 spots were resolved on silver-stained protein gels for cultures growing at rates of 0.026, 0.076, and 0.18 h(-1). Twelve protein spots had intensities that varied by more than twofold between growth rates and hence are likely to be important for growth rate-dependent stress resistance. These studies demonstrated the crucial role that nutrient limitation plays in the physiology of S. alaskensis RB2256, especially under oxidative stress conditions.

Phytochelatin signal tranduction and cadmium chelation in plants

As plantas utilizam diversas estratégias de sinalização para reconhecer e responder aos stresses ambientais. A maioria das vias de transdução de sinais partilham um sinal genérico, normalmente a modulação dos níveis intracelulares de Ca2+. Esta por sua vez pode iniciar uma cascata de fosforilação proteica que finalmente afecta as proteínas directamente envolvidas na protecção celular ou culmina em factores de transcrição que vão determinar a resposta fisiológica ao stresse. A percepção destes sinais e a compreensão de como estes podem activar as respostas adaptativas são factores-chave para a tolerância das plantas a stresses abióticos. Um dos principais stresses abóticos que restrigem o crescimento das plantas é a presença de metais pesados. A produção de fitoquelatinas e a subsequente quelação dos metais é o mecanismo mais conhecido de tolerância ao stresse metálico em plantas. Fitoquelatinas (PCs) são péptidos com grupos tiol que são sintetizados através da transpeptidação da glutationa (GSH), pela acção da enzima fitoquelatina sintase (PCS). No entanto, até ao momento, as vias de sinalização que levam à síntese de fitoquelatinas e à percepção do stresse metálico são pouco compreendidas. Dentro deste contexto, o presente trabalho foi elaborado com o intuito de elucidar a via de sinalização através da qual o cádmio é detectado pelas células vegetais e induz a síntese de PCs. Quase todos, os estudos de stresses abióticos em plantas apontam para o facto de a sua sinalização se basear nos mesmos tipos de sinais moleculares, nomeadamente a sinalização por cálcio, a fosforilação proteica e a indução de espécies reactivas de oxigénio (ROS). Trabalhos recentes sugerem que a sinalização de PCs poderá envolver todos estes parâmetros. Assim, uma primeira abordagem foi efectuada para compreender a síntese de PCs na espécie Arabidopsis thaliana, através da monitorizaçção da actividade de enzimas relacionadas, a γ-EC sintetase, GSH sintetase e a PC sintase (PCS), assim como o tempo necessário para o elongamento das PCs e a sua acumulação. Seguidamente, ao longo deste processo foi analisada a expressão de sinais específicos, associados com sinais de cálcio, fosforilação proteica e sinalização por ROS. A importância destes factores na síntese de PCs foi também avaliada através do uso de moduladores farmacológicos de cálcio e fosfatases proteicas e também pela indução de stresse oxidativo. Os resultados demonstraram novos dados sobre o papel do cálcio e da fosforilação proteica na produção de PCs e na síntese de GSH, revelando que a actvidade da PCS é regulada por fosforilação e que a sinalização de cálcio pode mediar a síntese de GSH. O envolvimento da sinalização de ROS na síntese de GSH, atráves de crosstalk com a sinalização de cálcio também foi proposta. Assim, os resultados aqui apresentados descrevem uma possível via de sinalização de cádmio nas plantas e da indução de fitoquelatinas. Este trabalho poderá ser portanto muito útil na implementação de novas metodologias de agricultura sustentável e práticas de fitorremediação em solos contaminados com metais pesados.

Influence of Soil and Irrigation Management on the Quality of Seedless Crimson Table Grapes

The market for table grapes is moving into mass production of specialty seed-less grapes in covered areas, aiming at obtaining premium prices with early or late production of high quality products. Production of quality seedless grapes is not straightforward since it is requires the correct combination of various independent characteristics, such as color, sugars, size and quantity at the right moment for successful harvesting and marketing. The present study was carried out at the two largest Portuguese producers located in Alentejo, and has the objective of studying the effect of irrigation management strategies and two different soils on the various relevant parameters for successful production and marketing. The management strategies were the application of ten day stress at the end of the cycle, in order to promote early maturing of the grapes. Three different timings of the stress were applied. Soil moisture, sap flow, bark thickness, as well as leaf water potential, stomatal conductance and chlorophyll content were measured regularly during the production season. The results indicate that the roots explore a rather large soil volume and the plants can successfully withstand reasonable periods of drought without significant changes to the plant physiology. Additionally late rains can mask the effect of any farmer applied drought and invalidate any farmer induced stress to the plants. Water-logged soils tend to cause early onset of maturity, but cause the ripening stage to extend over a longer period of time, and thus, in effect result in a delay in the harvest date. Topography also has some effect on the ripening, since hot air tends to accumulate under the plastic at the higher areas of the field. This work is funded by PRODER, 4.1, within the scope of project MORECRIMSON

Characterisation of physiological conditions and evaluation of well-being in two species of bivalve molluscs (Ruditapes philippinarum and Chamelea gallina) intensively exploited in coastal and lagoon areas of the Northern Adriatic Sea (Italy)

Tese de Doutoramento, Ecologia, Especialidade de Ecofisiologia, Faculdade de Ciências do Mar e do Ambiente, Universidade do Algarve, 2007