Beans ( Phaseolus spp.) - model food legumes

Globally, 800 million people are malnourished. Heavily subsidised farmers in rich countries produce sufficient surplus food to feed the hungry, but not at a price the poor can afford. Even donating the rich world's surplus to the poor would not solve the problem. Most poor people earn their living from agriculture, so a deluge of free food would destroy their livelihoods. Thus, the only answer to world hunger is to safeguard and improve the productivity of farmers in poor countries. Diets of subsistence level farmers in Africa and Latin America often contain sufficient carbohydrates (through cassava, corn/maize, rice, wheat, etc.), but are poor in proteins. Dietary proteins can take the form of scarce animal products (eggs, milk, meat, etc.), but are usually derived from legumes (plants of the bean and pea family). Legumes are vital in agriculture as they form associations with bacteria that 'sfix-nitrogen' from the air. Effectively this amounts to internal fertilisation and is the main reason that legumes are richer in proteins than all other plants. Thousands of legume species exist but more common beans (Phaseolus vulgaris L.) are eaten than any other. In some countries such as Mexico and Brazil, beans are the primary source of protein in human diets. As half the grain legumes consumed worldwide are common beans, they represent the species of choice for the study of grain legume nutrition. Unfortunately, the yields of common beans are low even by the standards of legumes, and the quality of their seed proteins is sub-optimal. Most probably this results from millennia of selection for stable rather than high yield, and as such, is a problem that can be redressed by modern genetic techniques. We have formed an international consortium called Phaseomics' to establish the necessary framework of knowledge and materials that will result in disease-resistant, stress-tolerant, high-quality protein and high-yielding beans. Phaseomics will be instrumental in improving living conditions in deprived regions of Africa and the Americas. It will contribute to social equity and sustainable development and enhance inter- and intra-cultural understanding, knowledge and relationships. A major goal of Phaseomics is to generate new common bean varieties that are not only suitable for but also desired by the local farmer and consumer communities. Therefore, the socio-economic dimension of improved bean production and the analysis of factors influencing the acceptance of novel varieties will be an integral part of the proposed research (see Figure 1). Here, we give an overview of the economic and nutritional importance of common beans as a food crop. Priorities and targets of current breeding programmes are outlined, along with ongoing efforts in genomics. Recommendations for an international coordinated effort to join knowledge, facilities and expertise in a variety of scientific undertakings that will contribute to the overall goal of better beans are given. To be rapid and effective, plant breeding programmes (i.e., those that involve crossing two different 'sparents') rely heavily on molecular 'smarkers'. These genetic landmarks are used to positio

Direct calculation of the hard-sphere crystal/melt interfacial free energy

We present a direct calculation by molecular-dynamics computer simulation of the crystal/melt interfacial free energy, $\gamma$, for a system of hard spheres of diameter $\sigma$. The calculation is performed by thermodynamic integration along a reversible path defined by cleaving, using specially constructed movable hard-sphere walls, separate bulk crystal and fluid systems, which are then merged to form an interface. We find the interfacial free energy to be slightly anisotropic with $\gamma$ = 0.62$\pm 0.01$, 0.64$\pm 0.01$ and 0.58$\pm 0.01 k_BT/\sigma^2$ for the (100), (110) and (111) fcc crystal/fluid interfaces, respectively. These values are consistent with earlier density functional calculations and recent experiments measuring the crystal nucleation rates from colloidal fluids of polystyrene spheres that have been interpreted [Marr and Gast, Langmuir {\bf 10}, 1348 (1994)] to give an estimate of $\gamma$ for the hard-sphere system of $0.55 \pm 0.02 k_BT/\sigma^2$, slightly lower than the directly determined value reported here.Comment: 4 pages, 4 figures, submitted to Physical Review Letter

Million-atom molecular dynamics simulation by order-N electronic structure theory and parallel computation

Parallelism of tight-binding molecular dynamics simulations is presented by means of the order-N electronic structure theory with the Wannier states, recently developed (J. Phys. Soc. Jpn. 69,3773 (2000)). An application is tested for silicon nanocrystals of more than millions atoms with the transferable tight-binding Hamiltonian. The efficiency of parallelism is perfect, 98.8 %, and the method is the most suitable to parallel computation. The elapse time for a system of $2\times 10^6$ atoms is 3.0 minutes by a computer system of 64 processors of SGI Origin 3800. The calculated results are in good agreement with the results of the exact diagonalization, with an error of 2 % for the lattice constant and errors less than 10 % for elastic constants.Comment: 5 pages, 3 figure

Adjusting the melting point of a model system via Gibbs-Duhem integration: application to a model of Aluminum

Model interaction potentials for real materials are generally optimized with respect to only those experimental properties that are easily evaluated as mechanical averages (e.g., elastic constants (at T=0 K), static lattice energies and liquid structure). For such potentials, agreement with experiment for the non-mechanical properties, such as the melting point, is not guaranteed and such values can deviate significantly from experiment. We present a method for re-parameterizing any model interaction potential of a real material to adjust its melting temperature to a value that is closer to its experimental melting temperature. This is done without significantly affecting the mechanical properties for which the potential was modeled. This method is an application of Gibbs-Duhem integration [D. Kofke, Mol. Phys.78, 1331 (1993)]. As a test we apply the method to an embedded atom model of aluminum [J. Mei and J.W. Davenport, Phys. Rev. B 46, 21 (1992)] for which the melting temperature for the thermodynamic limit is 826.4 +/- 1.3K - somewhat below the experimental value of 933K. After re-parameterization, the melting temperature of the modified potential is found to be 931.5K +/- 1.5K.Comment: 9 pages, 5 figures, 4 table

Van der Waals loops and the melting transition in two dimensions

Evidence for the existence of van der Waals loops in pressure p versus volume v plots has for some time supported the belief that melting in two dimensions is a first order phase transition. We report rather accurate equilibrium p(v) curves for systems of hard disks obtained from long Monte Carlo simulations. These curves, obtained in the constant volume ensemble, using periodic boundary conditions, exhibit well defined van der Waals loops. We illustrate their existence for finite systems that are known to undergo a continuous transition in the thermodynamic limit. To this end, we obtain magnetization m versus applied field curves from Monte Carlo simulations of the 2D Ising model, in the constant m ensemble, at the critical point. Whether van der Waals loops for disk systems behave in the thermodynamic limit as they do for the 2D Ising model at the critical point cannot be ruled out. Thus, the often made claim that melting in 2D is a first order phase transition, based on the evidence that van der Waals loops exist, is not sound.Comment: 10 pages, 6 Postscript figures (submitted to Phys.Rev.E). For related work, see http://pipe.unizar.es/~jf

Measuring kinetic coefficients by molecular dynamics simulation of zone melting

Molecular dynamics simulations are performed to measure the kinetic coefficient at the solid-liquid interface in pure gold. Results are obtained for the (111), (100) and (110) orientations. Both Au(100) and Au(110) are in reasonable agreement with the law proposed for collision-limited growth. For Au(111), stacking fault domains form, as first reported by Burke, Broughton and Gilmer [J. Chem. Phys. {\bf 89}, 1030 (1988)]. The consequence on the kinetics of this interface is dramatic: the measured kinetic coefficient is three times smaller than that predicted by collision-limited growth. Finally, crystallization and melting are found to be always asymmetrical but here again the effect is much more pronounced for the (111) orientation.Comment: 8 pages, 9 figures (for fig. 8 : [email protected]). Accepted for publication in Phys. Rev.

Absence of a Finite-Temperature Melting Transition in the Classical Two-Dimensional One-Component Plasma

Vortices in thin-film superconductors are often modelled as a system of particles interacting via a repulsive logarithmic potential. Arguments are presented to show that the hypothetical (Abrikosov) crystalline state for such particles is unstable at any finite temperature against proliferation of screened disclinations. The correlation length of crystalline order is predicted to grow as $\sqrt{1/T}$ as the temperature $T$ is reduced to zero, in excellent agreement with our simulations of this two-dimensional system.Comment: 3 figure

Effect of water temperature and induced acoustic pressure on cavitation erosion behaviour of aluminium alloys

Data availability: The raw/processed data required to reproduce these findings are available from the corresponding author on request.Copyright © 2023 The Author(s). Cavitation erosion is a major challenge for marine and fluid machinery systems. This study investigated the erosion performance of two as-cast aluminium alloys exposed to acoustic cavitation in water at temperatures of 10–50 °C and those were then compared with an extruded wrought alloy tested specifically at the temperature of maximum erosion. The results showed that the as-cast A380 alloy displayed exceptional resistance to cavitation erosion, with the lowest mass loss and surface roughness. This finding suggests that the as-cast A380 alloy is a suitable choice for lightweight, high-performance components in applications where cavitation resistance is critical.This work was financially sponsored by the PAAM (grants EP/W006774/1, EP/W00593X/1 and EP/W006154/1), UltraMelt2 (grants EP/R011001/1, EP/R011095/1 and EP/R011044/1) and EcoUltra2D (grants EP/R031401/1, EP/R031665/1, EP/R031819/1, EP/R031975/1) projects funded by the UK Engineering and Physical Sciences Research Council (EPSRC)

An ABS control logic based on wheel force measurement

The paper presents an anti-lock braking system (ABS) control logic based on the measurement of the longitudinal forces at the hub bearings. The availability of force information allows to design a logic that does not rely on the estimation of the tyre-road friction coefficient, since it continuously tries to exploit the maximum longitudinal tyre force. The logic is designed by means of computer simulation and then tested on a specific hardware in the loop test bench: the experimental results confirm that measured wheel force can lead to a significant improvement of the ABS performances in terms of stopping distance also in the presence of road with variable friction coefficien