| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2015: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2014: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2013: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
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| Outline of Final Research Achievements |
Since 2005, we have been developing our original simulation code named feram specialized for ferroelectric materials. feram is fast molecular dynamics (MD) simulation code for ABO3 perovskite-type ferroelectrics and distributed as free software http://loto.sourceforge.net/feram/ . The code is based on a first-principles effective Hamiltonian and can be applicable not only bulk ferroelectrics but also ferroelectric thin-film capacitors.
With the feram code, we have carried out simulations of phase transitions, hysteresis loops, and domain structures for bulk and thin-film ferroelectrics. Recently, we also have developed simulation methods of electrocaloric and elastocaloric effects of ferroelectric materials. The electrocaloric effect is an adiabatic change in the temperature of a material upon applying an external electric field. The elastocaloric effect is that of external stress field. It is widely believed that these effects are applicable to solid-state refrigeration technologies.
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