High-power pulsed lasers provide an ingenious method for launching metal foils to generate high-speed flyers for high-pressure loading in material science or aerospace engineering.At high-temperature and high-pressure...High-power pulsed lasers provide an ingenious method for launching metal foils to generate high-speed flyers for high-pressure loading in material science or aerospace engineering.At high-temperature and high-pressure laser-induced conditions,the dynamic response of the metals and the mechanism of flyer formation remain unclear.In this study,the overall process of the laser-driven aluminum flyer,including laser ablation,rupture of metal foil,and the generation of the flyer was investigated by molecular dynamics combined with the two-temperature model.It was found that under high laser fluence(over 1.3 J/cm;with 200-fs laser pulse duration),the laser induced a shock wave with a peak pressure higher than25 GPa,which led to shear bands expanding from the edge of the laser ablation zone in the foil.Compared with the cases of low laser fluence less than 0.5 J/cm^(-1),the shear band induced by high laser fluence promotes the rupture of the foil and results in a high-speed flyer(>1 km/s)with better flatness and integrity.In addition,the shock wavefront was found to be accompanied by aluminum crystal phase transformation from face-centered cubic(FCC)to body-centered cubic structure.The crystal structure reverts with the decrease of pressure,therefore the internal structure of the generated flyer is pure of FCC.The results of this study provide a better understanding of the laser-induced shock effect on the foil rupture and flyer quality and forward the development of the laser-driven flyer.展开更多
热填料的热膨胀系数和热导率是设计热管理和热防护复合材料的关键参考因素.六方氮化硼(h-BN)由于其独特的优点是最常用的热填料之一.但由于不同测试方法和测试样品的不一致性,其热膨胀系数和热导率的精确数值尚不清楚.本文分别用基于密...热填料的热膨胀系数和热导率是设计热管理和热防护复合材料的关键参考因素.六方氮化硼(h-BN)由于其独特的优点是最常用的热填料之一.但由于不同测试方法和测试样品的不一致性,其热膨胀系数和热导率的精确数值尚不清楚.本文分别用基于密度泛函理论的准谐近似方法和声子玻耳兹曼输运方程理论精确计算了h-BN沿层间和层内方向的热膨胀系数和热导率,通过与已有实验结果的对比验证了计算结果的准确性,并通过对声子行为的分析研究了其基本物理原理.结果表明,h-BN的热膨胀系数沿层内方向为较小的负值,沿层间方向为较大的正值,在300 K时分别为-2.4×10^(-6)和36.4×10^(-6)K^(-1).研究表明,h-BN各向异性的热膨胀系数主要由其各向异性的等温体积模量和低频面外纵向声学支和光学支的振动特性所引起.为了确保h-BN热导率的快速准确预测,本文首次进行了原子间交互作用截断半径和q网格尺寸的收敛性测试.计算结果表明,h-BN平面内的热导率远大于沿平面间方向的热导率,在300 K时分别为286.6和2.7 W m^(-1)K^(-1).声子行为分析表明,由面外纵向声学支、面内纵向声学支和横向声学支的振动特性引起的各向异性声子群速度是造成h-BN各向异性热导率的主要原因.本文的计算结果对h-BN复合材料的设计具有重要的参考价值.展开更多
基金supported by Singapore Ministry of Education Ac RF Tier 2 (MOE2019-T2-2-105), Ac RF Tier 1 RG4/17 and RG161/19。
文摘二维(2D)过渡金属氧化物(TMO)的地球丰度高,并且具有独特的物理化学性质和较好的催化性能,是新能源工业领域中非常有应用前景的电催化剂.然而,由于合成高质量和可控厚度的2D TMO具有一定的难度,目前有关2D TMO的微观电化学研究的报道较少.本文采用化学气相沉积法直接合成了2D钴铁氧体(CoFeO),所制得的2D CoFeO呈现结晶性良好的超薄尖晶石结构,其最薄厚度可达到6.8 nm.采用超微电极测试平台考察了碱性条件下2DCoFeO催化析氧反应(OER)的性能.结果表明,2D CoFeO(111)面在10 m Acm^(-2)的电流密度下表现出330 m V的低过电位,在570 m V的过电位下表现出142 m Acm^(-2)的高电流密度.密度泛函理论计算发现2DCoFeO表面上的双金属位点降低了反应能垒.此外,2DCoFeO的超薄厚度使体电阻率降低,同时增加了活性位点的利用率,进而提高了对OER的催化活性,这与在超微电极平台上测得的2D CoFeO厚度-OER活性依赖关系的结果一致.本研究还合成了大面积的2D CoFeO薄膜,其标准三电极体系研究表明2D CoFeO样品仍然表现出较高的催化OER活性和较好的寿命,说明所制备的2D CoFeO具有较好的实际应用潜力.综上,本文采用气相化学沉积法直接合成了超薄2DCoFeO纳米片,其最薄厚度可达6.8 nm,2DCoFeO表现出良好的OER性能,为2DTMOs电催化剂的可控合成开辟了新途径.此外,本文还分析了2DCoFeO电催化OER反应的机理,为二维电催化剂设计提供了新思路.
基金financial supports from Singapore Ministry of Education Academic Research Fund Tier 2(Grant No.MOE-T2EP10220-0005)Academic Research Fund Tier 1(Grant No.RG104/18)。
基金supported by the National Natural Science Foundation of China(Grant No.11832006)the Opening Fund of State Key Laboratory of Explosion Science and Technology in China(Grant No.KFJJ20-04M)。
文摘High-power pulsed lasers provide an ingenious method for launching metal foils to generate high-speed flyers for high-pressure loading in material science or aerospace engineering.At high-temperature and high-pressure laser-induced conditions,the dynamic response of the metals and the mechanism of flyer formation remain unclear.In this study,the overall process of the laser-driven aluminum flyer,including laser ablation,rupture of metal foil,and the generation of the flyer was investigated by molecular dynamics combined with the two-temperature model.It was found that under high laser fluence(over 1.3 J/cm;with 200-fs laser pulse duration),the laser induced a shock wave with a peak pressure higher than25 GPa,which led to shear bands expanding from the edge of the laser ablation zone in the foil.Compared with the cases of low laser fluence less than 0.5 J/cm^(-1),the shear band induced by high laser fluence promotes the rupture of the foil and results in a high-speed flyer(>1 km/s)with better flatness and integrity.In addition,the shock wavefront was found to be accompanied by aluminum crystal phase transformation from face-centered cubic(FCC)to body-centered cubic structure.The crystal structure reverts with the decrease of pressure,therefore the internal structure of the generated flyer is pure of FCC.The results of this study provide a better understanding of the laser-induced shock effect on the foil rupture and flyer quality and forward the development of the laser-driven flyer.
基金the National Natural Science Foundation of China(51621091,51225203,and 51672060)the National Key Research and Development Program of China(2017YFB0310400)。
文摘热填料的热膨胀系数和热导率是设计热管理和热防护复合材料的关键参考因素.六方氮化硼(h-BN)由于其独特的优点是最常用的热填料之一.但由于不同测试方法和测试样品的不一致性,其热膨胀系数和热导率的精确数值尚不清楚.本文分别用基于密度泛函理论的准谐近似方法和声子玻耳兹曼输运方程理论精确计算了h-BN沿层间和层内方向的热膨胀系数和热导率,通过与已有实验结果的对比验证了计算结果的准确性,并通过对声子行为的分析研究了其基本物理原理.结果表明,h-BN的热膨胀系数沿层内方向为较小的负值,沿层间方向为较大的正值,在300 K时分别为-2.4×10^(-6)和36.4×10^(-6)K^(-1).研究表明,h-BN各向异性的热膨胀系数主要由其各向异性的等温体积模量和低频面外纵向声学支和光学支的振动特性所引起.为了确保h-BN热导率的快速准确预测,本文首次进行了原子间交互作用截断半径和q网格尺寸的收敛性测试.计算结果表明,h-BN平面内的热导率远大于沿平面间方向的热导率,在300 K时分别为286.6和2.7 W m^(-1)K^(-1).声子行为分析表明,由面外纵向声学支、面内纵向声学支和横向声学支的振动特性引起的各向异性声子群速度是造成h-BN各向异性热导率的主要原因.本文的计算结果对h-BN复合材料的设计具有重要的参考价值.
