The generalized gradient approximation kernel in time-dependent density functional theory

A complete understanding of a material requires both knowledge of the excited states as well as of the ground state. In particular, the low energy excitations are of utmost importance while studying the electronic, magnetic, dynamical, and thermodynamical properties of the material. Time-Dependent Density Functional Theory (TDDFT), within the linear regime, is a successful \textit{ab-initio} method to access the electronic charge and spin excitations. However, it requires an approximation to the exchange-correlation (XC) kernel which encapsulates the effect of electron-electron interactions in the many-body system. In this work we derive and implement the spin-polarized XC kernel for semi-local approximations such as the adiabatic Generalized Gradient Approximation (AGGA). This kernel has a quadratic dependence on the wavevector, {\bf q}, of the perturbation, however the impact of this on the electron energy loss spectra (EELS) is small. Although the GGA functional is good in predicting structural properties, it generality overestimates the exchange spin-splitting. This leads to higher magnon energies, as compared to both ALDA and experiment. In addition, interaction with the Stoner spin-flip continuum is enhanced by AGGA, which strongly suppresses the intensity of spin-waves.Comment: 11 pages, 7 figure

Nutritive value of forage legumes used for grazing and silage

peer-reviewedLegume forages have an important position in ruminant production in Western Europe and with further development can play an even larger role. Red clover for silage and white clover in grazed swards lead to enhanced growth rate and milk yield in comparison with pure grasses. Much of the production benefit of these legumes relates to enhanced intake since digestibilities are not markedly different to grasses. The higher intake of legume silages reflects differences in the cell structure of legume plants which combined with high fermentation rates means that they break down into small particles in the rumen, and leave the rumen more rapidly than perennial ryegrass. Ease of ingestion leads to high rates of intake, which explains higher intakes for grazed legumes. A further benefit of legumes is the reduced rate of decline in digestibility with advancing maturity. Whilst legumes have limited effects on gross milk composition or carcass characteristics, there are marked increases in levels of beneficial n−3 PUFA. Legumes have often led to a reduction in methane production from the rumen and again, this relates to both physical and chemical differences between forage species. The high rates of release of soluble protein and of breakdown to small particles from clovers and lucerne is associated with susceptibility to bloat, which is a limitation to further exploitation in grazing systems. The high concentration of rapidly degraded protein in legumes also leads to inefficient utilisation of dietary N and increased urinary N output. Research with tanniniferous forages, such as birdsfoot trefoil and sulla, demonstrates the potential for future legumes with reduced environmental and health effects, though these particular forage legumes are not well adapted to temperate regions of Western Europe that are the focus of this review

Controlling the polarisation correlation of photon pairs from a charge-tuneable quantum dot

Correlation between the rectilinear polarisations of the photons emitted from the biexciton decay in a single quantum dot is investigated in a device which allows the charge-state of the dot to be controlled. Optimising emission from the neutral exciton states maximises the operating efficiency of the biexciton decay. This is important for single dot applications such as a triggered source of entangled photons. As the bias on the device is reduced correlation between the two photons is found to fall dramatically as emission from the negatively charged exciton becomes significant. Lifetime measurements demonstrate that electronic spin-scattering is the likely cause.Comment: 3 figure

The effect of strategic supplementation with trans-10,cis-12 conjugated linoleic acid on the milk production, estrous cycle characteristics, and reproductive performance of lactating dairy cattle

Peer-reviewedThis is the author’s version of a work that was accepted for publication in Journal of Dairy Science. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Dairy Science, Volume 95, Issue 5, May 2012, Pages 2442-2451: DOI 10.3168/jds.2011-4632The objective was to determine the effects of a protected (lipid-encapsulated) conjugated linoleic acid (LE-CLA) supplement on milk production, estrous cycle characteristics, and reproductive performance in lactating dairy cows on a pasture-based diet. Spring calving dairy cows (n = 409) on a single pasture-based commercial dairy farm were used in a completely randomized block design. Cows were assigned to 1 of 2 dietary supplements [LE-CLA (n = 203) or no supplement (control, n = 206)]. The LE-CLA cows received 51 g/d of a lipid supplement containing 5 g of both trans-10,cis-12 and cis-9,trans-11 CLA from 0 to 60 d in milk. Milk samples were collected 3 times weekly, and each sample was analyzed for progesterone to determine the interval to first ovulation and estrous cycle characteristics. Milk yield and concentrations of fat, protein, and lactose were measured every 2 wk. Cows were inseminated following visual observation of estrus. The breeding season commenced on April 8, 2009 and continued for 16 wk. Transrectal ultrasonography was carried out at 30 to 36 d and 60 to 66 d post-AI to diagnose pregnancy. The LE-CLA treatment resulted in a decrease in milk fat concentration (36.9 ± 0.06 g/kg vs. 30.7 ± 0.06 g/kg for control and LE-CLA, respectively) and yield (0.91 ± 0.02 kg/d vs. 0.84 ± 0.02 kg/d for control and LE-CLA, respectively); however, milk yield was increased by LE-CLA supplementation (24.7 ± 0.7 kg/d vs. 27.2 ± 0.7 kg/d for control and LE-CLA, respectively), resulting in no overall difference in milk energy output. No effect of LE-CLA was observed on any estrous cycle characteristics or measures of reproductive performance. These results support that in pasture-based systems of dairy production, where energy intake limits milk production, energy spared by CLA-induced milk fat depression is partitioned toward increasing milk yield rather than toward body reserves

LENS® and SFF: Enabling Technologies for Optimized Structures

Optimized, lightweight, high-strength structures are needed in many applications from aerospace to automotive. In pursuit of such structures, there have been proposed analytical solutions and some specialized FEA solutions for specific structures such as automobile frames. However, generalized 3D optimization methods have been unavailable for use by most designers. Moreover, in the cases where optimized structural solutions are available, they are often hollow, curving, thin wall structures that cannot be fabricated by conventional manufacturing methods. Researchers at Sandia National Laboratories and the University of Rhode Island teamed to solve these problems. The team has been pursuing two methods of optimizing models for generalized loading conditions, and also has been investigating the methods needed to fabricate these structures using Laser Engineered Net Shaping™ (LENS®) and other rapid prototyping methods. These solid freeform fabrication (SFF) methods offer the unique ability to make hollow, high aspect ratio features out of many materials. The manufacturing development required for LENS to make these complex structures has included the addition of rotational axes to Sandia’s LENS machine bringing the total to 5 controlled axes. The additional axes have required new efforts in process planning. Several of the unique structures that are only now possible through the use of SFF technology are shown as part of the discussion of this exciting new application for SFF.Mechanical Engineerin

Effect of supplementation with different fat sources on the mechanisms involved in reproductive performance in lactating dairy cattle

peer reviewedSupplementary fat positively influences reproductive performance in dairy cattle, although the mechanisms involved are not clearly defined. Our objective was to determine the effects of four different fat supplements on follicle development, plasma steroid hormone concentrations and prostaglandin (PG) synthesis in lactating dairy cattle. Forty-eight early lactation Holstein-Friesian cows (21 primiparous, 27 multiparous) were used in a completely randomized block design. Cows were fed the same basal TMR diet and received one of four fat supplements: (i) palmitic acid (18:0 fatty acid; Control), (ii) flaxseed (rich in 18:3 n-3 fatty acid; Flax), (iii) conjugated linoleic acid (a mixture of cis-9, trans-11 and trans-10, cis-12 isomers; CLA), and (iv) fish oil (rich in 20:5 and 22:6 n-3 fatty acids; FO). All lipid supplements were formulated to be isolipidic; palmitic acid was added as necessary to provide a total lipid supplement intake of 500 g/day. Cows were synchronized to be in estrus on Day 15 of dietary treatment. All antral follicles were counted, and dominant follicles, subordinate follicles and corpora lutea were measured daily via transrectal ovarian ultrasonography for one complete estrous cycle. Blood samples were collected daily, and selected samples were analyzed for progesterone, estradiol, insulin-like growth factor-1, insulin, cholesterol and non-esterified fatty acids. Estrus was synchronized a second time, and liver and endometrial biopsies were collected on Day 7 of the estrous cycle. Gene expression was evaluated for a number of genes involved in prostaglandin synthesis (endometrium) and fatty acid uptake and utilization (liver). Fat supplementation had little effect on follicle development. Cows receiving supplementary n-3 fatty acids had lesser plasma progesterone (P4) and smaller corpora lutea than cows receiving the CLA or Control supplements. Effects of fat supplementation on the endometrial expression of genes involved in PG synthesis were minor. Hepatic expression of SREBF1, ASCL1 and FABP1 was reduced by FO supplementation. Reduced plasma P4 in n-3 supplemented cows may lead to a suboptimal uterine environment for embryo development and hence reduced fertility compared to cows receiving the control or CLA supplements

Competing spin transfer and dissipation at Co/Cu(001) interfaces on femtosecond timescales

By combining interface-sensitive non-linear magneto-optical experiments with femtosecond time resolution and ab-initio time-dependent density functional theory, we show that optically excited spin dynamics at Co/Cu(001) interfaces proceeds via spin-dependent charge transfer and backtransfer between Co and Cu. This ultrafast spin transfer competes with dissipation of spin angular momentum mediated by spin-orbit coupling already on sub 100 fs timescales. We thereby identify the fundamental microscopic processes during laser-induced spin transfer at a model interface for technologically relevant ferromagnetic heterostructures.Comment: 5 pages, 4 figure

Persistence of characteristics of an ordered flux line lattice above the second peak in Bi2Sr2CaCu2O8+δBi_2Sr_2CaCu_2O_{8+ \delta}

We report Small Angle Neutron Scattering measurements of the flux lines lattice (FLL) in $Bi_2Sr_2CaCu_2O_{8+ \delta}$. As previously reported, the scattered intensity decreases strongly when the magnetic field is increased, but it remains measurable far above the second peak. The direct observation of Bragg peaks proves that the characteristics of a lattice are still present. No structural features related to a symmetry breaking, such as a liquid like or an amorphous state, can be observed. However, the associated scattered intensity is very low and is difficult to explain. We discuss the coexistence between two FLL states as a possible interpretation.Comment: accepted for publication in Phys Rev