An improved error bound for a finite element approximation of a model for phase separation of a multi-component alloy

Using the approach of Rulla (1996 SIAM J. Numer. Anal. 33, 68-87)for analysing the time discretization error and assuming moreregularity on the initial data, we improve on the error boundderived by Barrett and Blowey (1996 IMA J. Numer. Anal. 16,257-287) for a fully practical piecewise linear finite elementapproximation with a backward Euler time discretization of amodel for phase separation of a multi-component alloy.     

Description of an individual patient methodology for calculating the cost-effectiveness of treatments for osteoporosis in women

Models of the cost-effectiveness of pharmaceutical interventions for the treatment of osteoporosis have traditionally adopted cohort-based approaches. We present a transition-state model to simulate the experience of individual patients, allowing the full patient history and residential status to influence the probabilities of future fractures at the hip, spine, wrist or proximal humerus. Alongside epidemiological data, we used systematic literature reviews of costs, utilities and efficacy to populate the model for a UK setting. We established a statistical relationship between the inputs and outputs of the individual patient model creating a near instantaneous emulation of the individual patient model. We undertook extensive sensitivity analyses to analyse the uncertainty in the estimated incremental cost per quality-adjusted life year due to uncertainty in the efficacy of the drugs. We provide illustrative results accompanied by individual and multi-interventional cost-effectiveness acceptability curves.     

The lifetime of the A2Sigmau+ state of the N3 radical

The lifetime of the A 2Sigmau+ state of N3 has been determined from line broadening in the rotationally resolved laser-induced fluorescence (LIF) spectrum of the A 2Sigmau+-X 2Pig transition. N3 radicals, produced by fluorine atom abstraction from HN3, were probed with an intracavity doubled ring laser operating near 272 nm. Careful examination of the LIF spectrum indicates a significant Lorentzian component to the line shape due to a rapid predissociation in the A 2Sigmau+ state. The predissociation lifetime is found to be 132+/-21 ps for the 000 vibrational level and 64+/-10 ps for the 010 level. The short lifetime is consistent with the low intensity of the LIF signal especially for the 010-010 hot band.     

间-吡啶基紫外光化学中的氢原子解离通道

利用高里德堡态氢原子飞行时间探测技术, 在224～248 nm激发波长研究了间-吡啶基紫外光化学中的氢原子解离通道的动力学过程．氢原子光解碎片产率谱显示在234 nm附近有较宽的吸收．产物的平动能释放较小;在224～248 nm激发波长区间平均〈 fT〉是0.12～0.19．产物的平动能分布显示产物是H＋HC≡C-CH=CH-C≡N,H 3,4-吡啶和H 2,3-吡啶,以H HC≡C-CH=CH-C≡N为主要的氢原子生成通道．氢原子碎片具有各向同性的角度分布．研究结果表明,在紫外电子态激发以后,间-吡啶基经过内转换到电子基态,再经由单分子解离到H HC≡C-CH=CH-C≡N,H 3,4-吡啶和H 2,3-吡啶产物．间-吡啶基的紫外光解机理和以前报道过的邻-吡啶基的紫外光解机理相似．     

Ultraviolet photodissociation dynamics of the phenyl radical

Ultraviolet (UV) photodissociation dynamics of jet-cooled phenyl radicals (C(6)H(5) and C(6)D(5)) are studied in the photolysis wavelength region of 215-268 nm using high-n Rydberg atom time-of-flight and resonance enhanced multiphoton ionization techniques. The phenyl radicals are produced from 193-nm photolysis of chlorobenzene and bromobenzene precursors. The H-atom photofragment yield spectra have a broad peak centered around 235 nm and are in good agreement with the UV absorption spectra of phenyl. The H + C(6)H(4) product translational energy distributions, P(E(T))'s, peak near ~7 kcal/mol, and the fraction of average translational energy in the total excess energy, , is in the range of 0.20-0.35 from 215 to 268 nm. The H-atom product angular distribution is isotropic. The dissociation rates are in the range of 10(7)-10(8) s(-1) with internal energy from 30 to 46 kcal/mol above the threshold of the lowest energy channel H + o-C(6)H(4) (ortho-benzyne), comparable with the rates from the Rice-Ramsperger-Kassel-Marcus theory. The results from the fully deuterated phenyl radical are identical. The dissociation mechanism is consistent with production of H + o-C(6)H(4), as the main channel from unimolecular decomposition of the ground electronic state phenyl radical following internal conversion of the electronically excited state.