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题目：固体材料热输运性质的第一性计算的研究及在地球物理及材料科学中的应用
报告人：Prof. Jianjun Dong (Auburn University)
时 间：2015年7月16日上午9：00
地 点：西城校区教1-102
We have developed a series of highly efficient and massive-parallel computational algorithms to predict lattice thermal conductivity of a wide range of solid materials from first-principles theory. First, I will discuss some details of our current computational methods and the direction for future development. Then I will present some latest applications in Earth science and Materials science. Anchoring on our latest first-principles calculations of lattice thermal conductivity of MgO and MgSiO3 perovskite crystals, I will present our latest assessment of lower mantle thermal conductivity with additional evaluations of the Fe-bearing lower mantle mineral solid solutions, and the radiative contribution to diffusive heat transfer. We find that the overall thermal conductivity is approximately constant at 3 W/m/K throughout the lower mantle. This significant downward adjustment of lower mantle thermal conductivity values implies that the mantle has a blanketing effect on heat flow coming out of the Earth’s core, thus slowing the Earth’s thermal evolution. Furthermore, our computational methods can be also adopted in materials sciences to help to design high efficient thermoelectric materials.
董建军教授， 1992年本科毕业于北京大学物理系， 1998年在Ohio University 获得物理学博士学位，自2000年在Auburn University （奧本大学）任教。现为物理系的Walter 讲座正教授 (Thomas and Jean Walter Endowed Professor of Physics)及主管研究生录取及教学的Graduate Program Officer。近几年其主要研究方向为复杂固体材料的第一性计算，包括地球矿物在高压高温条件下的热输运性质的计算和模拟。曾在Science, PNAS, PRL 和GRL等一流杂志发表多篇文章。其研究工作长期获得美国NSF，DOE和NASA的资助。
报告人：Prof. Jianjun Dong (Auburn University)
时 间：2015年7月16日上午9：00
地 点：西城校区教1-102
We have developed a series of highly efficient and massive-parallel computational algorithms to predict lattice thermal conductivity of a wide range of solid materials from first-principles theory. First, I will discuss some details of our current computational methods and the direction for future development. Then I will present some latest applications in Earth science and Materials science. Anchoring on our latest first-principles calculations of lattice thermal conductivity of MgO and MgSiO3 perovskite crystals, I will present our latest assessment of lower mantle thermal conductivity with additional evaluations of the Fe-bearing lower mantle mineral solid solutions, and the radiative contribution to diffusive heat transfer. We find that the overall thermal conductivity is approximately constant at 3 W/m/K throughout the lower mantle. This significant downward adjustment of lower mantle thermal conductivity values implies that the mantle has a blanketing effect on heat flow coming out of the Earth’s core, thus slowing the Earth’s thermal evolution. Furthermore, our computational methods can be also adopted in materials sciences to help to design high efficient thermoelectric materials.
董建军教授， 1992年本科毕业于北京大学物理系， 1998年在Ohio University 获得物理学博士学位，自2000年在Auburn University （奧本大学）任教。现为物理系的Walter 讲座正教授 (Thomas and Jean Walter Endowed Professor of Physics)及主管研究生录取及教学的Graduate Program Officer。近几年其主要研究方向为复杂固体材料的第一性计算，包括地球矿物在高压高温条件下的热输运性质的计算和模拟。曾在Science, PNAS, PRL 和GRL等一流杂志发表多篇文章。其研究工作长期获得美国NSF，DOE和NASA的资助。
