Solution of Time Dependent Joule Heat Equation for a Graphene Sheet Under Thomson Effect

We address a physics-based solution of joule heating phenomenon in a single-layer graphene (SLG) sheet under the presence of Thomson effect. We demonstrate that the temperature in an isotopically pure (containing only C-12) SLG sheet attains its saturation level quicker than when doped with its isotopes (C-13). From the solution of the joule heating equation, we find that the thermal time constant of the SLG sheet is in the order of tenths of a nanosecond for SLG dimensions of a few micrometers. These results have been formulated using the electron interactions with the inplane and flexural phonons to demonstrate a field-dependent Landauer transmission coefficient. We further develop an analytical model of the SLG specific heat using the quadratic (out of plane) phonon band structure over the room temperature. Additionally, we show that a cooling effect in the SLG sheet can be substantially enhanced with the addition of C-13. The methodologies as discussed in this paper can be put forward to analyze the graphene heat spreader theory.

A fast NMR method for resonance assignments: application to metabolomics

We present a new method for rapid NMR data acquisition and assignments applicable to unlabeled (C-12) or C-13-labeled biomolecules/organic molecules in general and metabolomics in particular. The method involves the acquisition of three two dimensional (2D) NMR spectra simultaneously using a dual receiver system. The three spectra, namely: (1) G-matrix Fourier transform (GFT) (3,2)D C-13, H-1] HSQC-TOCSY, (2) 2D H-1-H-1 TOCSY and (3) 2D C-13-H-1 HETCOR are acquired in a single experiment and provide mutually complementary information to completely assign individual metabolites in a mixture. The GFT (3,2)D C-13, H-1] HSQC-TOCSY provides 3D correlations in a reduced dimensionality manner facilitating high resolution and unambiguous assignments. The experiments were applied for complete H-1 and C-13 assignments of a mixture of 21 unlabeled metabolites corresponding to a medium used in assisted reproductive technology. Taken together, the experiments provide time gain of order of magnitudes compared to the conventional data acquisition methods and can be combined with other fast NMR techniques such as non-uniform sampling and covariance spectroscopy. This provides new avenues for using multiple receivers and projection NMR techniques for high-throughput approaches in metabolomics.

Structural characterization of folded and extended conformations in peptides containing gamma amino acids with proteinogenic side chains: crystal structures of gamma(n), (alpha gamma)(n) and gamma gamma delta gamma sequences

The crystal structures of nine peptides containing gamma(4)Val and gamma(4)Leu are described. The short sequences Boc-gamma(4)(R)Val](2)-OMe 1, Boc-gamma(4)(R)Val](3)-NHMe 2 and Boc-gamma(4)(S)Val-gamma(4)(R)Val-OMe 3 adopt extended apolar, sheet like structures. The tetrapeptide Boc-gamma(4)(R)Val](4)-OMe 4 adopts an extended conformation, in contrast to the folded C-14 helical structure determined previously for Boc-gamma(4)(R)Leu](4)-OMe. The hybrid alpha gamma sequence Boc-Ala-gamma(4)(R)Leu](2)-OMe 5 adopts an S-shaped structure devoid of intramolecular hydrogen bonds, with both alpha residues adopting local helical conformations. In sharp contrast, the tetrapeptides Boc-Aib-gamma(4)(S)Leu](2)-OMe 6 and Boc-Leu-gamma(4)(R)Leu](2)-OMe 7 adopt folded structures stabilized by two successive C-12 hydrogen bonds. gamma(4)Val residues have also been incorporated into the strand segments of a crystalline octapeptide, Boc-Leu-gamma(4)(R)Val-Val-(D)Pro-Gly-Leu-gamma(4)(R)Val-Val-OMe 8. The gamma gamma delta gamma tetrapeptide containing gamma(4)Val and delta(5)Leu residues adopts an extended sheet like structure. The hydrogen bonding pattern at gamma residues corresponds to an apolar sheet, while a polar sheet is observed at the lone delta residue. The transition between folded and extended structures at gamma residues involves a change of the torsion angle from the gauche to the trans conformation about the C-beta-C-alpha bond.

Efecto de la inclusión de saccharina sobre el comportamiento productivo de cerdos de engorde

El presente trabajo experimental se realizó con el objetivo de evaluar el efecto de inclusión de dos niveles de Saccharina sobre los rendimientos productivos: Ganancia Media Diaria (GMD.); Consumo de Alimento Promedio (CAP); Conversión Alimenticia (CA) en cerdos de engorde, evaluándose la utilidad económica de los tratamientos. Se utilizaron tres tratamientos. T1: testigo; T2: 7.38 % de Saccharina y T3 : 14.76 % de Saccharina, los que estaban conformados por grupos de siete cerdos cada uno, con edades y pesos promedios de 120 días y 34.55 Kg. El análisis estadístico empleado fué un Diseño Completamente Aleatorio (DCA), para las variables GMD/Tratamiento y C.A/Tratamiento. Se obtuvieron ganancias medias diarias de T1: 750.48; T2 : 893.34; T3 : 774.29 gr/días/cerdos respectivamente. Resultando no significativa al Pr≤ O.05 para los tres tratamientos. Con la realización del análisis de costo de alimento por Kg de ganancia de peso se obtuvieron los valores de C$ 5.13 (T1); C$ 4.62 (T2); C$ 4.48 (T3) respectivamente. Al realizarse el presupuesto parcial se determinó que el tratamiento que obtuvo la mayor utilidad fue el tratamiento dos (T2) resultando de C$ 57.77 siendo para el tratamiento tres (T3 ) la utilidad de C$ 12.27 ambos tratamientos con respecto al tratamiento uno (T1). Por tanto, el tratamiento T2 es el que genera las beneficios económicos.

Diagnóstico sobre la producción y comercialización de los productos lacteos en el municipio de San Pedro de Lóvago, Chontales, Nicaragua

El trabajo fue realizado en la época de verano en el municipio de San pedro de Lóvago, Chontales donde se encuestó el 10% de los productores. La población total del municipio es de 7,125 habitantes, donde la mayoría viven en zonas rurales; la principal base de subsistencia es la ganadería siendo su principal fuente de trabajo.Es un municipio con alto potencial en su producción de leche y ocupando el segundo lugar en el departamento de chontales, cuenta con 46269 cabezas de ganado en todo el municipio con un rendimiento promedio de cuatro litros de leche por vaca y su explotación es de doble propósito, pastoreo directo y extensivo. Las prácticas de manejo, sanidad, alimentación y reproducción siguen siendo las mismas de manera tradicional. Aun no existe en la mayoría de los productores interés al cambio, los resultados muestran que la producción total de leche diaria en el municipio durante el verano es de 10,393.25 galones a diario y en invierno es de 12,000 galones aproximados. Los productores que mas elaboran en el municipio son: queso mosarela, queso moralique, cuajadas, crema, queso palmito y quesillos. El precio de la leche varia según la épocas del año siendo en verano el mejor precio pagado (C$ 14.00 por galón) debido a que existe una poca producción de leche en caso contrario en invierno que es cuando se produce el "golpe de leche" y el precio llega alcanzar hasta (C$ 4.00 por galón). La parmalat es la única empresa que recolecta leche en las cooperativas: Manantial con 1,400 galones a diario y la cooperativa San pedro con 1,104.25 galones a diario para un total de 2,504.25 en verano y 5,008.5 galones en invierno, la cual mantiene durante todo el año el precio estable por galón de C$ 12.00. La comercialización se empieza desde el productor hasta el consumidor final a través de una cadena de intermediarios. La mayor pate de los productos van destinados a la capital (80%) y otra parte se exportan a El Salvador (20%) de manera directa. La producción anual de carne en el municipio es alrededor de 3,000 kilogramos siendo los principales acopiadores o centro de venta de. novíllo de modalidad canal caliente y en pie. El matadero MASESA con un 30% de la producción total, el matadero Nandaime con 20%, el matadero CARNIC con un 10%, los corrales de tipitapa 30% y los matarifes con el 10% restante de cabezas d ganado bovino.

Estudio de seis tratamientos nitrogenados bajo riego por goteo de 3.6 litros de agua por metro lineal por día en la producción de chilote en el cultivo del maíz (Zea mays L.), variedad NB-S, a una densidad de 62 500 ptas/ha

El presente trabajo de investigación se estableció entre los meses de febrero–mayo del año 2012, bajo sistema de riego por goteo en los terrenos propiedad de la Universidad Nacional Agraria (UNA), ubicada en el km 12 1/2 carretera norte, municipio de Managua con las coordenadas 12°08 ́36” latitud norte y 86°09 ́49” longitud oeste a una alturade 56 msnm. Con el objetivo de estudiar seis tratamientos nitrogenados (A=50 kg ha-1 de N aplicada 100% a los 21 ddg; B = 50 kg ha-1 de N; Aplicada 50% a los 21dds y 50 % a los 42 ddg; C=50 kg ha-1 de N aplicada 100% a los 42 ddg; D= 100 kg ha-1 de N; Aplicada 100% a los 21 ddg; E= 100 kg ha-1 de N; Aplicada 50% a los 21 ddg y 50 % a los 42 ddg; F=100 kg ha-1 de N; Aplicado 100% a los 42 ddg) ) se estableció un experimento unifactorial en bloques completos al azar, para evaluar el efecto de los mismos sobre el crecimiento del maíz y rendimiento del chilote. Las variables evaluadas fueron durante el desarrollo de la planta: altura de planta, diámetro de tallo, número de hojas. A la cosecha: Altura de la 1era y 2da inserción del chilote (cm),peso del chilote con brácteas y sin brácteas (kg),longitud del chilote con brácteas y sin brácteas (cm), diámetro del chilote con brácteas y sin brácteas (cm) y rendimiento del chilote (kg/ha). La evaluación estadística a los datos de estas variables, se realizó por medio del Análisis de Varianza y separación de medias por Duncan al 5 % de confiabilidad. De los seis tratamientos evaluados, el tratamiento. E indujo al mayor rendimiento de chilote con una producción de 2,265.63 kg ha-1,con un beneficio neto de C$ 12,493.03 córdobas ha-1 y una tasa de retorno marginal del 201.49%

Efecto de suplementación de miel urea al 10 % versus concentrado El Ranchero al 16% en novillos de finalización en comarca Coyanchigue, Camoapa, Boaco

El presente estudio, se realizó con el objetivo de evaluar el comportamiento productivo y económico de novillos de finalización sometidos a dos suplementos nutricionales como parte de la dieta alimenticia que utiliza la Asociación de Ganaderos de Camoapa. Los suplementos correspondieron a suministro por animal de miel-urea al 10 % (180 g de urea-0.6 kg de melaza-120 g de sal común y mineral) y 2.7kg de concentrado comercial El Ranchero al 16 %, este suplemento se suministró durante 50 días a dos grupos conformados por 9 novillos correspondientemente, con pesos inicial es de entre 304-309 kg. Después de realizar análisis de muestras pareadas de t-student a los promedios de peso final y ganancia media diaria (GMD), se encontró diferencia significativa (Pr=0.03; gle=17) para los tratamientos: El Ranchero 16% tuvo un peso final promedio de 382.5 ± 10.7 kg y 366.9 ± 20.1 kg con suplementado con miel-urea 10 %. La GMD tuvo el promedio de 1.46 kg para El Ranchero 16% y 1.25 kg para miel-urea 10%. Los costos de suplemento miel-urea 10% fue de C$12.30 y de C$27.6 para El Ranchero 16%. La relación beneficio-costo para miel-urea reflejó que por cada córdoba invertido se generan C$ 2.82 y para concentrado el Ranchero al 16% se generan C$1.43.

A exposição a fumaça de cigarro altera distribuição de tecido adiposo branco de camundongos fêmeas jovens

O tabagismo e a obesidade são as principais causas de morbidade e mortalidade no mundo. Estudos populacionais relatam que fumantes, principalmente do sexo feminino, apresentam baixo índice de massa corporal. Porém, são escassos os estudos que avaliem a composição corporal de humanos e animais expostos a fumaça de cigarro, em especial nos adolescentes. Aos 35 d de idade, camundongos fêmeas foram expostos à fumaça de cigarros 3R4F (médio teor de nicotina), 8 h/dia, por 15 dias (F, n=12), paralelamente foi avaliado animais não expostos (C, n=12). Imediatamente após a exposição, metade dos animais de cada grupo foi sacrificada e a outra metade permaneceu em observação por 30dias. Durante todo o período experimental, a massa e comprimento corporal e ingestão alimentar foram avaliados. Ao final de cada período, os animais foram avaliados por DXA (Dual Energy X-ray Absorptiometry) e sacrificados por exsanguinação. Para avaliação e comprovação da exposição ao fumo foi utilizado a cotinina e morfologia do pulmão. No plasma foram avaliados colesterol, triglicerídeos, glicose, cotinina e insulina. Amostras de tecido adiposo intra-abdominal (IA) e subcutâneo (SC) foram coletadas e processadas por técnica histológica de rotina para análise morfológica. As expressões de PPAR, UCP2 e CPT1 foram avaliadas no tecido IA por western blotting. Durante a exposição, a massa, o comprimento corporal, a ingestão alimentar, a massa magra e a massa de tecido IA, bem como a glicose e o colesterol e a expressão de PPAR permaneceram inalterados. A expressão de UCP2 e CPT1, assim como a insulina circulante diminuiram. A gordura corporal total e do tronco, triglicerídeos e cotinina aumentaram. A análise morfológica não evidenciou alteração no tecido IA, mas, houve aumento do número e diminuição da área dos adipócitos no tecido SC. Após trinta de dias de abstinência a massa corporal, a massa e o número de adipócitos do tecido IA e a glicose aumentaram no grupo F, enquanto houve diminuição do colesterol, da área do adipócito IA e SC e do número do SC. Porém, sem alteração da ingestão, do comprimento corporal, da massa magra, da massa de gordura total e do tronco, da insulina e dos triglicerídeos e também da expressão de PPAR, UCP2 e CPT1 no IA. A exposição à fumaça de cigarro, em camundongos fêmeas jovens, desencadeou mudanças na adiposidade, que repercutiram de forma prejudicial e precoce sobre o metabolismo. Mesmo com a cessação do hábito de fumar os distúrbios metabólicos permanecem expressivos

Condição oral em pacientes com doença inflamatória intestinal

O objetivo deste estudo foi avaliar a prevalência de periodontite e a presença de lesões cariosas, restauradas e elementos perdidos por cárie em pacientes com Doença de Crohn (DC) e Retocolite Ulcerativa (RCUI), comparado-os a pacientes saudáveis sistemicamente. Como objetivo secundário, avaliamos a condição clínica da mucosa oral nos três grupos. Foram examinados 99 pacientes com DC (39.0 DP 12.9 anos), 80 com RCUI (43.3 13.2 anos) e 74 no grupo C (40.3 12.9 anos). A condição periodontal foi avaliada através do índice de placa visível, do sangramento gengival à sondagem, da profundidade de bolsa à sondagem (PBS) e do nível de inserção à sondagem (NIS). Indivíduos que apresentavam pelo menos quatro sítios com NIS ≥3 forma considerados como portadores de periodontite. As condições dentárias foram avaliadas pelo índice de dentes com lesões cariosas, restaurados e perdidos por cárie (CPOD). A condição clínica da mucosa oral foi investigada através da presença de lesões no tecido mole. A porcentagem de placa foi significativamente menor no grupo DC (44.0 30.5) que no C (54.1 26.4), p= 0.017. O sangramento gengival a sondagem era significativamente menor nos pacientes com DC (22.5 18.0) comparado ao grupo C (29.2 22.1), p= 0.038. A quantidade total de sítios com PBS ≥ 4mm foi significativamente menor no grupo DC (5.4 6.6), comparado ao grupo C (12.9 17.7), p= 0.02. A porcentagem de pacientes portadores de periodontite foi significativamente maior nos grupos RCUI (92.6%, p= 0.004) e DC (91.9%, p=0.019), comparado ao grupo C (79.7%). O índice de CPOD foi significativamente maior nos grupos RCUI (16.4 6.6; p< 0.0001) e no DC (15.1 7.3; p= 0.016) quando comparados ao C (12.5 6.8). Foram observadas significativamente mais lesões bucais nos grupos DC (17.2%; p= 0.0041) e RCUI (28.7%; p < 0.0001) quando comparadas ao grupo C (6.7%). Assim, conclui-se que os pacientes com Doença de Crohn e Retocolite Ulcerativa apresentam maior prevalência de periodontite, e maior índice de CPOD quando comparados aos indivíduos do grupo controle. A perda de inserção foi significativamente maior no grupo da Retocolite Ulcerativa quando comparado a Doença de Crohn. Além disso, os pacientes com comprometimento intestinal apresentam significativamente mais lesões bucais que os pacientes do grupo controle.

低温胁迫下果实组织结构和生理变化及化学调控机理研究

低温贮藏是延缓园艺产品采后成熟、抑制病原菌生长和保持品质的常规方法。然而，许多园艺产品对低温(一般低于10 ºC~12 ºC)相当敏感，如果贮藏温度过低，就易产生冷害，降低其商业价值。所以研究采后园艺产品的冷害机制及如何提高其抗冷性是具有潜在经济价值的科学问题。水杨酸甲酯和茉莉酸甲酯是植物产生的信号物质，有研究表明这两种物质能够缓解低温贮藏下果实的冷害程度或提高果实的抗冷性，但是相关的作用机理并不清晰。本论文以芒果、桃和黄瓜为材料，研究水杨酸甲酯或茉莉酸甲酯处理的果实在冷害或非冷害贮藏条件下的抗氧化代谢、酚类物质代谢、细胞膜完整性以及细胞壁成分和结构等方面的变化，进一步证实了水杨酸甲酯和茉莉酸甲酯能够缓解果实的冷害，同时还探讨了提高抗冷性的机制。 　　本论文采用扫描电子显微镜研究果实表皮蜡层的变化，用光学显微镜、透射电子显微镜和傅里叶变换红外光谱仪研究果实细胞壁结构和成分的变化，用原子吸收分光光度计测定细胞壁钙离子的变化，用电导率仪检测果实细胞的完整性。同时测定了果实酚类物质含量、多酚氧化酶(EC 1.10.3.1)活性、过氧化物酶(EC 1.11.1.7)活性，并分析了果实硬度、糖和酸含量等品质指标。试验结果表明：适宜浓度的水杨酸甲酯和茉莉酸甲酯均能缓解果实的冷害症状，提高果实的抗冷性。其中，水杨酸甲酯处理能够改变果实表皮蜡层结构;降低表皮脂类物质和细胞壁酚类物质积累;抑制细胞壁纤维物质的降解，调节果胶物质的溶解，保护细胞壁结构。茉莉酸甲酯处理可以保护细胞膜的完整性;调节果实的酚类物质代谢，缓解果实的酶促褐变;抑制细胞壁果胶物质和纤维物质的降解，维持细胞壁结构和果实的硬度，有利于提高果实的抗冷性和缓解果实冷害。 　　虽然不同的果实表现的冷害症状不完全相同，但是低温胁迫对植物组织结构(膜系统和细胞壁结构)的破坏是造成果实冷害的根本原因。提高果实抗冷性的各种调节机制归根结底是通过保护细胞正常结构而发挥作用的。水杨酸甲酯与茉莉酸甲酯处理保护了果实的组织结构，缓解了低温胁迫对果实的伤害，提高了果实的抗冷性。然而，果实自身物质成分的差异是造成冷害症状表现不同的主要原因。 　　

Development of canned products from Indian major carp, catla (Catla catla)

Pieces of catla fish (Catla catla, a major carp of lndian subcontinent) of length 10 to 11 cm and thickness 1.0 to 1.5cm were precooked by two methods; steam precooking and frying. The precooked pieces were packed_in No.1 tall can (30lx411) with various hot filling media like oil, brine, tomato sauce and curry. Cans were seamed by a hand seamer and retorted at 117.2° C (12 psi) for 90 minutes. All the canned products had satisfactory cut-out, biochemical and organoleptic characteristics. Steam precooked canned products had moisture content of 65.6 to 74%, protein content of 20.8 to 22%, fat content of 1.1 to 6.6% and ash content of 2.1 to 2.5%; whereas fried canned products had moisture content of 65.4 to 68.2%, protein content of 21.3 to 22%, fat content of 7 to 10.2% and ash content of 2.1 to 2.7% on wet wt. basis. Salt content in steam precooked and fried canned products varied from 1.2 to 1.9% and 2.0 to 2.5% respectively. All the canned products were organoleptically good. However, degree of preference varied for different products. Canned fried catla in curry was the best product among all types of packs. Among the precooking methods, frying was more efficient than steam precooking in controlling the amount of exudate to a desirable limit in canned products. However, crispness, the characteristic quality for a fried fish, was lost during retorting. There was no change in quality characteristics during a storage period of 3 months at ambient temperature (32±2°C).

In vivo and in vitro storage of kutum, Rutilus frisii kutum eggs

Effects of post-ovulatory and post-stripping retention time and temperature on egg viability rates were studied in kutum (Rutilus frisii kutum). Eggs were retained inside (in vivo storage) or outside the ovarian cavity with ovarian fluid (in vitro storage) at various temperatures. Two experiments were performed: 1) Partial volumes of eggs were stripped and fertilized at 24- hour intervals for 96 hours post-ovulation (HPO) (at 11 °C) and at 12-hour intervals for 72 HPO (at 14 °C), and 2) stored eggs were fertilized after 0, 2, 4, 6, and 8 hours post-stripping (HPS) at temperatures of 4, 10, 12, and 26 °C. In the first experiment, the highest eyeing and hatching rates (76% and 60% at 11 °C; 81% and 71% at 14 °C) and the lowest eyed-egg mortalities (20% at 11 °C; 12% at 14 °C) occurred in the eggs fertilized immediately (0–24 HPO at 11 °C and 0–12 HPO at 14 °C) after ovulation. Egg viability, as shown by successful eyeing and hatching rates, was completely lost by 72–96 HPO at 11 °C, and 60–72 HPO at 14 °C. In the second experiment, the maximum eyeing (87%) and hatching (75%) rates of eggs took place at 0 HPS followed by 8 HPS (> 80% and > 70%, respectively) at 4 °C. As storage temperature increased, egg viability decreased: 80%, 70%, and 50% viable at 8 HPS at 4, 10, and 12 °C, respectively. The eggs stored at 26 °C lost their viability almost completely after 4 HPS. Eyed-egg mortality increased from 13% at 0 HPS to 48.2% at 4 HPS at 26°C. These results demonstrate that egg stripping should take place within 168 °C-hours after ovulation and that complete loss of viability of the eggs occurs by 672°C-hours after ovulation. The in vivo storage method is more effective compared to in vitro storage. Also successful in vitro storage of eggs can be used atleast within 8 hours at temperatures ranging from 4 to 12ºC.

Opioid Withdrawal for 4 Days Prevents Synaptic Depression Induced by Low Dose of Morphine or Naloxone in Rat Hippocampal CA1 Area In Vivo

The formation of memory is believed to depend on experience- or activity-dependent synaptic plasticity, which is exquisitely sensitive to psychological stress since inescapable stress impairs long-term potentiation (LTP) but facilitates long-term depression (LTD). Our recent studies demonstrated that 4 days of opioid withdrawal enables maximal extents of both hippocampal LTP and drug-reinforced behavior; while elevated-platform stress enables these phenomena at 18 h of opioid withdrawal. Here, we examined the effects of low dose of morphine (0.5 mg kg(-1), i.p.) or the opioid receptor antagonist naloxone (1 mg kg(-1), i.p.) on synaptic efficacy in the hippocampal CA1 region of anesthetized rats. A form of synaptic depression was induced by low dose of morphine or naloxone in rats after 18 h but not 4 days of opioid withdrawal. This synaptic depression was dependent on both N-methyl-D-aspartate receptor and synaptic activity, similar to the hippocampal long-term depression induced by low frequency stimulation. Elevated-platform stress given 2 h before experiment prevented the synaptic depression at 18 h of opioid withdrawal; in contrast, the glucocorticoid receptor (GR) antagonist RU38486 treatment (20 mg kg(-1), s.c., twice per day for first 3 days of withdrawal), or a high dose of morphine reexposure (15 mg kg(-1), s.c., 12 h before experiment), enabled the synaptic depression on 4 days of opioid withdrawal. This temporal shift of synaptic depression by stress or GR blockade supplements our previous findings of potentially correlated temporal shifts of LTP induction and drug-reinforced behavior during opioid withdrawal. Our results therefore support the idea that stress experience during opioid withdrawal may modify hippocampal synaptic plasticity and play important roles in drug-associated memory. (C) 2009 Wiley-Liss, Inc.

Structural, elastic, and electronic properties of cubic perovskite BaHfO3 obtained from first principles

We investigated the structural, elastic, and electronic properties of the cubic perovskite-type BaHfO3 using a first-principles method based on the plane-wave basis set. Analysis of the band structure shows that perovskite-type BaHfO3 is a wide gap indirect semiconductor. The band-gap is predicted to be 3.94 eV within the screened exchange local density approximation (sX-LDA). The calculated equilibrium lattice constant of this compound is in good agreement with the available experimental and theoretical data reported in the literatures. The independent elastic constants (C-11, C-12, and C-44), bulk modules B and its pressure derivatives B', compressibility beta, shear modulus G, Young's modulus Y, Poisson's ratio nu, and Lame constants (mu, lambda) are obtained and analyzed in comparison with the available theoretical and experimental data for both the singlecrystalline and polycrystalline BaHfO3. The bonding-charge density calculation make it clear that the covalent bonds exist between the Hf and 0 atoms and the ionic bonds exist between the Ba atoms and HfO3 ionic groups in BaHfO3. (C) 2009 Elsevier B.V. All rights reserved.

The effects of pre-irradiation on the formation of Si1-xCx alloys

Carbon ions were implanted into crystal Si to a concentration of (0.6-1.5)at% at room temperature. Some samples were pre-irradiated with S-29(i)+ ions, while others were not pre-irradiated. Then the two kinds of samples were implanted with C-12(+) ions simultaneously, and Si1-xCx alloys were grown by solid phase epitaxy with high-temperature annealing. The effects of preirradiation on the formation of Si1-xCx alloys were studied. If the dose of implanted C ion was less than that for amorphizing Si crystals, the implanted C atoms would like to combine with defects produced during implantation, and then it was difficult for Si1-xCx alloys to form after annealine, at 950 degreesC. Pre-irradiation was advantageous for Si1-xCx alloy formation. With the increase of C ion dose, the damage produced by C ions increased. Pre-irradiation was unfavorable for Si1-xCx, alloy formation. If the implanted C concentration was higher than that for solid phase epitaxy solution, only part of the implanted C atoms form Si1-xCx alloys and the effects of pre-irradiation could be neglected. As the annealing temperature was increased to 1050 degreesC, Si1-xCx alloys in both pre-irradiated and unpreirradiated samples of low C concentration remained, whereas most part of Si1-xCx alloys in samples with high C concentration vanished.