Reconstruction of potential energy profiles from multiple rupture time distributions

We explore the mathematical and numerical aspects of reconstructing a potential energy profile of a molecular bond from its rupture time distribution. While reliable reconstruction of gross attributes, such as the height and the width of an energy barrier, can be easily extracted from a single first passage time (FPT) distribution, the reconstruction of finer structure is ill-conditioned. More careful analysis shows the existence of optimal bond potential amplitudes (represented by an effective Peclet number) and initial bond configurations that yield the most efficient numerical reconstruction of simple potentials. Furthermore, we show that reconstruction of more complex potentials containing multiple minima can be achieved by simultaneously using two or more measured FPT distributions, obtained under different physical conditions. For example, by changing the effective potential energy surface by known amounts, additional measured FPT distributions improve the reconstruction. We demonstrate the possibility of reconstructing potentials with multiple minima, motivate heuristic rules-of-thumb for optimizing the reconstruction, and discuss further applications and extensions.Comment: 20 pages, 9 figure

Momentum-resolved electron-phonon interaction in lead determined by neutron resonance spin-echo spectroscopy

Neutron resonance spin-echo spectroscopy was used to monitor the temperature evolution of the linewidths of transverse acoustic phonons in lead across the superconducting transition temperature, $T_c$, over an extended range of the Brillouin zone. For phonons with energies below the superconducting energy gap, a linewidth reduction of maximum amplitude $\sim 6 \mu$eV was observed below $T_c$. The electron-phonon contribution to the phonon lifetime extracted from these data is in satisfactory overall agreement with {\it ab-initio} lattice-dynamical calculations, but significant deviations are found

Energy Gaps and Kohn Anomalies in Elemental Superconductors

The momentum and temperature dependence of the lifetimes of acoustic phonons in the elemental superconductors Pb and Nb was determined by resonant spin-echo spectroscopy with neutrons. In both elements, the superconducting energy gap extracted from these measurements was found to converge with sharp anomalies originating from Fermi-surface nesting (Kohn anomalies) at low temperatures. The results indicate electron many-body correlations beyond the standard theoretical framework for conventional superconductivity. A possible mechanism is the interplay between superconductivity and spin- or charge-density-wave fluctuations, which may induce dynamical nesting of the Fermi surface

Supraspinal Fatigue Impedes Recovery From a Low-Intensity Sustained Contraction in Old Adults

This study determined the contribution of supraspinal fatigue and contractile properties to the age difference in neuromuscular fatigue during and recovery from a low-intensity sustained contraction. Cortical stimulation was used to evoke measures of voluntary activation and muscle relaxation during and after a contraction sustained at 20% of maximal voluntary contraction (MVC) until task failure with elbow flexor muscles in 14 young adults (20.9 ± 3.6 yr, 7 men) and 14 old adults (71.6 ± 5.4 yr, 7 men). Old adults exhibited a longer time to task failure than the young adults (23.8 ± 9.0 vs. 11.5 ± 3.9 min, respectively, P \u3c 0.001). The time to failure was associated with initial peak rates of relaxation of muscle fibers and pressor response (P \u3c 0.05). Increments in torque (superimposed twitch; SIT) generated by transcranial magnetic stimulation (TMS) during brief MVCs, increased during the fatiguing contraction (P \u3c 0.001) and then decreased during recovery (P = 0.02). The increase in the SIT was greater for the old adults than the young adults during the fatiguing contraction and recovery (P \u3c 0.05). Recovery of MVC torque was less for old than young adults at 10 min post-fatiguing contraction (75.1 ± 8.7 vs. 83.6 ± 7.8% of control MVC, respectively, P = 0.01) and was associated with the recovery of the SIT (r = −0.59, r2 = 0.35, P \u3c 0.001). Motor evoked potential (MEP) amplitude and the silent period elicited during the fatiguing contraction increased less for old adults than young adults (P \u3c 0.05). The greater fatigue resistance with age during a low-intensity sustained contraction was attributable to mechanisms located within the muscle. Recovery of maximal strength after the low-intensity fatiguing contraction however, was impeded more for old adults than young because of greater supraspinal fatigue. Recovery of strength could be an important variable to consider in exercise prescription of old populations

Long-range and short-range magnetic correlations, and microscopic origin of net magnetization in the spin-1 trimer chain compound CaNi3P4O14

Spin-spin correlations and microscopic origin of net magnetization in the spin-1 trimer chain compound CaNi3P4O14 have been investigated by powder neutron diffraction. The present study reveals a 3D long-range magnetic ordering below 16 K where the magnetic structure consists of ferromagnetic trimers that are coupled ferromagnetically along the spin-chain. The moment components along the a and c axes arrange antiferromagnetically. Our study establishes that the uncompensated moment components along the b axis result in a net magnetization per unit cell. The magnetic structure, determined in the present study, is in agreement with the results of recent first principles calculation; however, it is in contrast to a fascinating experimental prediction of ferrimagnetic ordering based on the periodicity of the exchange interactions in CaNi3P4O14. Our study also confirms the presence of broad diffuse magnetic scattering, due to 1D short-range spin-spin correlations, over a wide temperature range below ~50 K down to a temperature well below the Tc. Total neutron scattering analysis by the RMC method reveals that the dominating spin-spin correlation above Tc is ferromagnetic and along the b axis. The nearest neighbour spin-spin correlations along the a and c axes are found to be weakly antiferromagnetic. The nature of the trimer spin structure of the short-range state is similar to that of the 3D long-range ordered state. The present investigation of microscopic nature of the magnetic ground state also explains the condition required for the 1/3 magnetization plateau to be observed in the trimer spin-chains. In spite of the S=1 trimer chain system, the present compound CaNi3P4O14 is found to be a good realization of 3D magnet below the Tc=16 K with full ordered moment values of ~2 mu_B/Ni2+ (1.98 and 1.96 mu_B/Ni2+ for two Ni sites, respectively) at 1.5 K.Comment: 10 pages, 8 figure

Experimental conversion of colony social organization by manipulation of worker genotype composition in fire ants (Solenopsis invicta)

Previous studies have shown that colony social organization in Solenopsis invicta is under strong genetic control. Colonies containing some proportion of workers with the Bb or bb genotypes at the gene Gp-9 display polygyne social organization (multiple reproductive queens per colony), whereas colonies with only BB workers express monogyne organization (single reproductive queen per colony). The hypothesis that the presence of workers bearing the b allele confers the polygyne social phenotype on a colony leads to the prediction that social organization can be manipulated by experimentally altering frequencies of adult workers bearing this allele. We did this by replacing queens in colonies of each social form with single queens of the alternate form, which differ in Gp-9 genotype. As worker Gp-9 genotype compositions changed, experimental colonies switched to the alternate social organization. These switches occurred when frequencies of workers with the b allele passed an identifiable threshold, such that colonies with fewer than 5% such workers behaved like monogyne colonies and those with more than 10% behaved like polygyne colonies. Our data thus confirm the prediction that colony social organization in this ant can be altered by manipulating adult worker genotype compositions, and thereby support the hypothesis that the expression of polygyny requires the presence of adult workers bearing the b allele at Gp-9

Supraspinal Fatigue Is Similar in Men and Women for a Low-Force Fatiguing Contraction

Purpose: This study determined the contribution of supraspinal fatigue to the sex difference in neuromuscular fatigue for a low-intensity fatiguing contraction. Because women have greater motor responses to arousal than men, we also examined whether cortical and motor nerve stimulation, techniques used to quantify central fatigue, would alter the sex difference in muscle fatigue. Methods: In study 1, cortical stimulation was elicited during maximal voluntary contractions (MVC) before and after a submaximal isometric contraction at 20% MVC with the elbow flexor muscles in 29 young adults (20 ± 2.6 yr, 14 men). In study 2, 10 men and 10 women (19.1 ± 2.9 yr) performed a fatiguing contraction in the presence and absence of cortical and motor nerve stimulation. Results: Study 1: Men had a briefer time to task failure than women (P = 0.009). Voluntary activation was reduced after the fatiguing contraction (P \u3c 0.001) similarly for men and women. Motor-evoked potential area and the EMG silent period increased similarly with fatigue for both sexes. Peak relaxation rates, however, were greater for men than women and were associated with time to task failure (P \u3c 0.05). Force fluctuations, RPE, HR, and mean arterial pressure increased at a greater rate for men than for women during the fatiguing contraction (P \u3c 0.05). Study 2: Time to task failure, force fluctuations, and all other physiological variables assessed were similar for the control session and stimulation session (P\u3e 0.05) for both men and women. Conclusions: Supraspinal fatigue was similar for men and women after the low-force fatiguing contraction, and the sex difference in muscle fatigue was associated with peripheral mechanisms. Furthermore, supraspinal fatigue can be quantified in both men and women without influencing motor performance