Experimental investigation of the density and surface tension of molten lithium at temperatures up to 1300 K

Yakimovich, K. A.; Mozgovoi, A. G.

doi:10.1007/bf02755816

Cited by 21 publications

(14 citation statements)

References 2 publications

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“…It is obvious from Figure that the density profile of the Belashchenko2013 EAM is rather different from the other two potentials. Experimental liquid density is compared to the density reproduced by the models in the inset of Figure for the temperature range 500–1300 K, and all three models perform reasonably well in this respect. The Ko–Jeon 2NN-MEAM consistently overestimates the density but only by 2.7%, while the density–temperature line of the Nichol–Ackland EAM has a slightly different slope.…”

Section: Resultsmentioning

confidence: 88%

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Pressure–Temperature Phase Diagram of Lithium, Predicted by Embedded Atom Model Potentials

Dorrell

Partay

2020

J. Phys. Chem. B

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Section: Resultsmentioning

confidence: 88%

“…The black star represents the critical point estimated from nested sampling, and density–temperature curves below and above the critical pressure are shown by solid and dashed lines, respectively. The open circle shows experimentally predicted critical values, and the black crosses show experimental liquid densities …”

Section: Resultsmentioning

confidence: 99%

Pressure–Temperature Phase Diagram of Lithium, Predicted by Embedded Atom Model Potentials

Dorrell

Partay

2020

J. Phys. Chem. B

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“…013477), which induces capillary forces acting on the condensed atoms. Since the surface tension of liquid lithium decreases with increasing temperature [18], the capillary forces cause the atoms to move back to the hotter surfaces.…”

Section: Laser Systemsmentioning

confidence: 99%

Large atom number dual-species magneto-optical trap for fermionic 6Li and 40K atoms

et al. 2011

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We present the design, implementation and characterization of a dual-species magneto-optical trap (MOT) for fermionic 6 Li and 40 K atoms with large atom numbers. The MOT simultaneously contains 5.2 × 10 9 6 Li-atoms and 8.0 × 10 9 40 K-atoms, which are continuously loaded by a Zeeman slower for 6 Li and a 2D-MOT for 40 K. The atom sources induce capture rates of 1.2 × 10 9 6 Li-atoms/s and 1.4 × 10 9 40 K-atoms/s. Trap losses due to light-induced interspecies collisions of ∼65% were observed and could be minimized to ∼10% by using low magnetic field gradients and low light powers in the repumping light of both atomic species. The described system represents the starting point for the production of a large-atom number quantum degenerate Fermi-Fermi mixture.

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“…31 The predicted density is close to the experimental value of 0.5124 g/cm 3 . 86 We chose a 256 × 256 × 256 global FFT box and a cubic cell length L = 71.47 Å, and the kinetic energy cutoff of the plane-wave basis was then 482 eV according to the equation = π ( )…”

Section: Resultsmentioning

confidence: 99%

Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms

Chen

Jiang

Wang

et al. 2016

J. Chem. Theory Comput.

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Orbital-free density functional theory (OFDFT) is a quantum-mechanics-based method that utilizes electron density as its sole variable. The main computational cost in OFDFT is the ubiquitous use of the fast Fourier transform (FFT), which is mainly adopted to evaluate the kinetic energy density functional (KEDF) and electron-electron Coulomb interaction terms. We design and implement a small-box FFT (SBFFT) algorithm to overcome the parallelization limitations of conventional FFT algorithms. We also propose real-space truncation of the nonlocal Wang-Teter KEDF kernel. The scalability of the SBFFT is demonstrated by efficiently simulating one full optimization step (electron density, energies, forces, and stresses) of 1,024,000 lithium (Li) atoms on up to 65,536 cores. We perform other tests using Li as a test material, including calculations of physical properties of different phases of bulk Li, geometry optimizations of nanocrystalline Li, and molecular dynamics simulations of liquid Li. All of the tests yield excellent agreement with the original OFDFT results, suggesting that the OFDFT-SBFFT algorithm opens the door to efficient first-principles simulations of materials containing millions of atoms.

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Experimental investigation of the density and surface tension of molten lithium at temperatures up to 1300 K

Cited by 21 publications

References 2 publications

Pressure–Temperature Phase Diagram of Lithium, Predicted by Embedded Atom Model Potentials

Pressure–Temperature Phase Diagram of Lithium, Predicted by Embedded Atom Model Potentials

Large atom number dual-species magneto-optical trap for fermionic 6Li and 40K atoms

Petascale Orbital-Free Density Functional Theory Enabled by Small-Box Algorithms

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