Advanced polymer simulation and processing

[Excerpt] Polymer processing techniques are of paramount importance in the manufacture of polymer parts. The key focus is on producing parts with the desired quality, which usually refers to mechanical performance, dimensional conformity, and appearance. To maximize the overall efficiency of polymer processing techniques, advanced modeling codes are needed along with experimental setups to simulate and optimize the processes. [...]This research was funded by FEDER through the COMPETE 2020 Programme and National Funds through FCT-Portuguese Foundation for Science and Technology under the projects UIDB/05256/2020 and UIDP/05256/2020. It was also funded by FCT through CMAT (Centre of Mathematics of the University of Minho) through projects UIDB/00013/2020 and UIDP/00013/2020

Tissue chemistry and carbon allocation in seedlings of Pinus palustris subjected to elevated atmospheric CO2 and water stress

Longleaf pine (Pinus palustris Mill.) seedlings were grown in 45-1 pots and exposed to ambient or elevated (365 or 730 uamol CO2 mol-1 ) CO2 concentration in open-top chambers for 20 months. Two water-stress treatments (target values of -0.5 or -1.5 MPa xylem pressure potential) were imposed 19 weeks after initiation of the study. At harvest, tissues (needles, stems, taproots, coarse roots, and fine roots) were analyzed for carbon (C), nitrogen (N), nonpolar extractives (fats, waxes, and oils), nonstructural carbohydrates (sugars and starch), structural components (cellulose and lignin), and tannins. The greatest dry weights and lowest N concentrations occurred in tissues of plants grown at elevated CO 2 or with adequate water. Although allocation of C fractions among tissues was generally unaffected by treatments, concentrations of the analyzed compounds were influenced by treatments in needles and taproots, but not in stems and lateral roots. Needles and taproots of plants exposed to elevated CO2 had increased concentrations of nonstructural carbohydrates. Among plant tissues, elevated CO2 caused reductions in structural C concentrations and foliar concentrations of fats, waxes and oils

Crystal structure of dichlorido(4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane)iron(III) hexafluoridophosphate

The title compound, [FeCl₂(C₁₄H₃₀N₄)]PF₆, contains Fe³⁺ coordinated by the four nitro­gen atoms of an ethyl­ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa­hedral environment. In contrast to other similar compounds this is a monomer. Inter­molecular C-H...Cl inter­actions exist in the structure between the complex ions. Comparison with the mononuclear Fe²⁺ complex of the same ligand shows that the smaller Fe³⁺ ion is more fully engulfed by the cavity of the bicyclic ligand. Comparison with the μ-oxido dinuclear complex of an unsubstituted ligand of the same size demonstrates that the methyl groups of 4,11-dimethyl-1,4,8,11-tetra­aza­bicyclo­[6.6.2]hexa­decane prevent dimerization upon oxidation

Above- and below-ground biomass accumulation, production, and distribution of sweetgum and loblolly pine grown with irrigation and fertilization.

Abstract: Increased forest productivity has been obtained by improving resource availability through water and nutrient amendments. However, more stress-tolerant species that have robust site requirements do not respond consistently to irrigation. An important factor contributing to robust site requirements may be the distribution of biomass belowground, yet available information is limited. We examined the accumulation and distribution of above- and below-ground biomass in sweetgum (Liqrridambar sfyrac$lua L.) and loblolly pine (Pinus taeda L.) stands receiving irrigation and fertilization. Mean annual aboveground production after 4 years ranged from 2.4 to 5.1 ~g.ha-'.year' for sweetgum and from 5.0 to 6.9 ~g.ha-l.year-l for pine. Sweetgum responded positively to irrigation and fertilization with an additive response to irrigation + fertilization. Pine only responded to fertilization. Sweetgum root mass fraction (RME)in creased with fertilization at 2 years and decreased with fertilization at 4 years. There were no detectable treatment differences in loblolly pine RMF. Development explained from 67% to 98% of variation in shoot versus root allometry for ephemeral and perennial tissues, fertilization explained no more than 5% of the variation in for either species, and irrigation did not explain any. We conclude that shifts in allocation from roots to shoots do not explain nutrient-induced growth stimulations

First-order decay models to describe soil C-CO2 Loss after rotary tillage

To further understand the impact of tillage on CO2 emission, the applicability of two conceptual models was tested, which describe the CO2 emission after tillage as a function of the non-tilled emission plus a correction due to the tillage disturbance. Models assume that C in readily decomposable organic matter follows a first-order reaction kinetics equation as: dCsoil (t) / dt = -k Csoil (t), and that soil C-CO2 emission is proportional to the C decay rate in soil, where Csoil(t) is the available labile soil C (g m-2) at any time (t) and k is the decay constant (time-1). Two possible assumptions were tested to determine the tilled (F T) fluxes: the decay constants (k) of labile soil C before and after tillage are different (Model 1) or not (Model 2). Accordingly, C flux relationships between non-tilled (F NT) and tilled (F T) conditions are given by: F T = F NT + a1 e-a2t (model 1) and F T = a3 F NT e-a4t (model 2), where t is time after tillage. Predicted and observed CO2 fluxes presented good agreement based on the coefficient of determination (R² = 0.91). Model comparison revealed a slightly improved statistical fit of model 2, where all C pools are assigned with the same k constant. Rotary speed was related to increases in the amount of labile C available and to changes of the mean resident labile C pool available after tillage. This approach allows describing the temporal variability of tillage-induced emissions by a simple analytical function, including non-tilled emission plus an exponential term modulated by tillage and environmentally dependent parameters.Para entendimento do impacto do preparo do solo sobre as emissões de CO2 desenvolvemos e aplicamos dois modelos conceituais que são capazes de prever a emissão de CO2 do solo após seu preparo em função da emissão da parcela sem distúrbio, acrescida de uma correção devido ao preparo. Os modelos assumem que o carbono presente na matéria orgânica lábil segue uma cinética de decaimento de primeira ordem, dada pela seguinte equação: dCsoil (t) / dt = -k Csoil (t), e que a emissão de C-CO2 é proporcional a taxa de decaimento do C no solo, onde Csolo(t) é a quantidade de carbono lábil disponível no tempo (t) e k é a constante de decaimento (tempo-1). Duas suposições foram testadas para determinação das emissões após o preparo do solo (Fp): a constante de decaimento do carbono lábil do solo (k) antes e após o preparo é igual (Modelo 1) ou desigual (Modelo 2). Conseqüentemente, a relação entre os fluxos de C das parcelas sem distúrbio (F SD) e onde o preparo do solo foi conduzido (F P) são dadas por: F P = F SD + a1 e-a2t (modelo 1) e F P = a3 F SD e-a4t (modelo 2), onde t é o tempo após o preparo. Fluxos de CO2 previstos e observados relevam um bom ajuste dos resultados com coeficiente de determinação (R²) tão alto quanto 0,91. O modelo 2 produz um ajuste ligeiramente superior quando comparado com o outro modelo. A velocidade das pás da enxada rotativa foi relacionada a um aumento na quantidade de carbono lábil e nas modificações do tempo de residência médio do carbono lábil do solo após preparo. A vantagem desta metodologia é que a variabilidade temporal das emissões induzidas pelo preparo do solo pode ser descrita a partir de uma função analítica simples, que inclui a emissão da parcela sem distúrbio e um termo exponencial modulado por parâmetros dependentes do preparo e de condições ambientais onde o experimento foi conduzido

Velocity-space sensitivity of the time-of-flight neutron spectrometer at JET

The velocity-space sensitivities of fast-ion diagnostics are often described by so-called weight functions. Recently, we formulated weight functions showing the velocity-space sensitivity of the often dominant beam-target part of neutron energy spectra. These weight functions for neutron emission spectrometry (NES) are independent of the particular NES diagnostic. Here we apply these NES weight functions to the time-of-flight spectrometer TOFOR at JET. By taking the instrumental response function of TOFOR into account, we calculate time-of-flight NES weight functions that enable us to directly determine the velocity-space sensitivity of a given part of a measured time-of-flight spectrum from TOFOR

On the mechanisms governing gas penetration into a tokamak plasma during a massive gas injection

A new 1D radial fluid code, IMAGINE, is used to simulate the penetration of gas into a tokamak plasma during a massive gas injection (MGI). The main result is that the gas is in general strongly braked as it reaches the plasma, due to mechanisms related to charge exchange and (to a smaller extent) recombination. As a result, only a fraction of the gas penetrates into the plasma. Also, a shock wave is created in the gas which propagates away from the plasma, braking and compressing the incoming gas. Simulation results are quantitatively consistent, at least in terms of orders of magnitude, with experimental data for a D 2 MGI into a JET Ohmic plasma. Simulations of MGI into the background plasma surrounding a runaway electron beam show that if the background electron density is too high, the gas may not penetrate, suggesting a possible explanation for the recent results of Reux et al in JET (2015 Nucl. Fusion 55 093013)

Relationship of edge localized mode burst times with divertor flux loop signal phase in JET

A phase relationship is identified between sequential edge localized modes (ELMs) occurrence times in a set of H-mode tokamak plasmas to the voltage measured in full flux azimuthal loops in the divertor region. We focus on plasmas in the Joint European Torus where a steady H-mode is sustained over several seconds, during which ELMs are observed in the Be II emission at the divertor. The ELMs analysed arise from intrinsic ELMing, in that there is no deliberate intent to control the ELMing process by external means. We use ELM timings derived from the Be II signal to perform direct time domain analysis of the full flux loop VLD2 and VLD3 signals, which provide a high cadence global measurement proportional to the voltage induced by changes in poloidal magnetic flux. Specifically, we examine how the time interval between pairs of successive ELMs is linked to the time-evolving phase of the full flux loop signals. Each ELM produces a clear early pulse in the full flux loop signals, whose peak time is used to condition our analysis. The arrival time of the following ELM, relative to this pulse, is found to fall into one of two categories: (i) prompt ELMs, which are directly paced by the initial response seen in the flux loop signals; and (ii) all other ELMs, which occur after the initial response of the full flux loop signals has decayed in amplitude. The times at which ELMs in category (ii) occur, relative to the first ELM of the pair, are clustered at times when the instantaneous phase of the full flux loop signal is close to its value at the time of the first ELM