A basic calculation procedure for the MOSMO method under CNDO/2 approximation is presented in this paper,and performed by using the same parameters as those used in the ordinary CNDO/2 LCAO-MO calculation.The calculat...A basic calculation procedure for the MOSMO method under CNDO/2 approximation is presented in this paper,and performed by using the same parameters as those used in the ordinary CNDO/2 LCAO-MO calculation.The calculated results on the whole are close to those obtained by use of the ordinary CNDO/2 LCAO-MO calculation,illustrating that the presented procedure is reasonable.Due to its simplicity,the presented calculation procedure may be feasible even in very large molecular s ystems.展开更多
In order to establish a new method for measuring the dimensions of coarse aggregates, five different-size flat and elongated (F&E) coarse aggregates were glued into two specimens by epoxy resin, respectively, and ...In order to establish a new method for measuring the dimensions of coarse aggregates, five different-size flat and elongated (F&E) coarse aggregates were glued into two specimens by epoxy resin, respectively, and slice images were obtained by X-ray CT, then the aggregates were extracted by the fuzzy c-means clustering algorithm. Attributions of the particle on different cross-sections were determined by the ‘overlap area method’. And unified three-dimensional Cartesian coordinate system was established based on continuous slice images. The coefficient values of spherical harmonics descriptor representing particles surface profile were gained, then each scanned particle was represented by 60×120 discrete points conformably with spherical harmonics descriptor. The chord length and direction angles were determined by the calculation. With the major axis (L) and orthogonal axis (W and T), the calculated results were compared with those measured by caliper. It is concluded that the new L, W, and T dimension measuring method is able to take the place of the present manual measurement.展开更多
粮食乃生存之本,为了提高水稻种子生产运输的时效性,设计了一种抛物母线型叶片的螺旋输送机。采用离散单元法(discrete element method,DEM)的颗粒系统仿真,探究螺旋输送机输送水稻种子的运动规律,提高水稻种子卸料速率的同时降低叶片...粮食乃生存之本,为了提高水稻种子生产运输的时效性,设计了一种抛物母线型叶片的螺旋输送机。采用离散单元法(discrete element method,DEM)的颗粒系统仿真,探究螺旋输送机输送水稻种子的运动规律,提高水稻种子卸料速率的同时降低叶片损耗。建立Hertz-Mindlin软球干颗粒接触模型,通过对比普通直母线叶片,分析了3种螺杆倾角下不同螺旋转速水稻种子的运移与接触特性。研究结果表明:抛物母线叶片将水稻种子的动能变化表现为加速入料、稳定输送和高速卸料3个工作阶段,且水稻种子在沿螺杆轴向前进的同时还具备不同频率和幅度的周向运动。相同转速下,600 r/min的0°倾角抛物母线叶片稳定输送水稻种子的卸料速率最高为82.3 g/s,但90°倾角的水稻种子回流现象较为明显,平均卸料速率降低了77.8%。相同倾角下,45°的1800 r/min高转速时,抛物母线叶片水稻种子的法向重叠量相较直母线叶片最大减小了10.2%;90°倾角下1300~1800 r/min中高转速时,抛物母线叶片水稻种子的平均接触数小于直母线叶片1.3%,降低了运输过程中叶片的磨损程度。研究结果揭示了水稻种子的运移规律,可为螺旋输送机的机械化高效运输提供理论依据。展开更多
目的:研究使用OCTAVIUS 4D验证设备对全中枢容积旋转调强放疗计划进行接野部位剂量验证的可行性和准确性,为全中枢容积旋转调强放疗计划接野部位剂量验证提供参考方法。方法:选取12例接受全中枢容积旋转调强接野放疗的患者,在治疗计划...目的:研究使用OCTAVIUS 4D验证设备对全中枢容积旋转调强放疗计划进行接野部位剂量验证的可行性和准确性,为全中枢容积旋转调强放疗计划接野部位剂量验证提供参考方法。方法:选取12例接受全中枢容积旋转调强接野放疗的患者,在治疗计划系统中分别建立头部中心、胸部中心、腹部中心验证计划和头胸射野衔接处、胸腹射野衔接处验证计划,通过OCTAVIUS 4D验证设备采集真实剂量。通过前后移床验证相邻中心射野衔接处的剂量分布。使用Verisoft 7.1软件分析全中枢容积旋转调强放疗单中心验证计划和射野衔接处验证计划的γ通过率。结果:阈值为10%时,头部、胸部和腹部中心计划在3 mm/3%标准下的γ通过率分别为(99.68±0.60)%、(99.63±0.52)%和(99.53±0.86)%,高于美国医学物理学家协会(American Association of Physicists in Medicine,AAPM)报告的关于治疗前患者计划剂量验证通过率的建议。相同条件下不同相邻中心射野衔接处的剂量分布略有差异,头胸接野部位的γ通过率略低于胸腹接野部位的γ通过率,且差异具有统计学意义(P<0.05)。阈值为10%时,横断面、冠状面、矢状面3 mm/3%标准下的γ通过率超过92%,5 mm/5%标准下的γ通过率则超过97%,均符合放疗计划治疗前的要求。结论:OCTAVIUS 4D验证设备可以用于全中枢容积旋转调强放疗计划剂量验证和接野部位的剂量验证,且接野部位的剂量验证通过率符合相关质控要求。展开更多
文摘A basic calculation procedure for the MOSMO method under CNDO/2 approximation is presented in this paper,and performed by using the same parameters as those used in the ordinary CNDO/2 LCAO-MO calculation.The calculated results on the whole are close to those obtained by use of the ordinary CNDO/2 LCAO-MO calculation,illustrating that the presented procedure is reasonable.Due to its simplicity,the presented calculation procedure may be feasible even in very large molecular s ystems.
基金Project(51038004) supported by the National Natural Science Foundation of ChinaProject(2009318000078) supported by the Western China Communications Construction and Technology Program, China
文摘In order to establish a new method for measuring the dimensions of coarse aggregates, five different-size flat and elongated (F&E) coarse aggregates were glued into two specimens by epoxy resin, respectively, and slice images were obtained by X-ray CT, then the aggregates were extracted by the fuzzy c-means clustering algorithm. Attributions of the particle on different cross-sections were determined by the ‘overlap area method’. And unified three-dimensional Cartesian coordinate system was established based on continuous slice images. The coefficient values of spherical harmonics descriptor representing particles surface profile were gained, then each scanned particle was represented by 60×120 discrete points conformably with spherical harmonics descriptor. The chord length and direction angles were determined by the calculation. With the major axis (L) and orthogonal axis (W and T), the calculated results were compared with those measured by caliper. It is concluded that the new L, W, and T dimension measuring method is able to take the place of the present manual measurement.
文摘目的:研究使用OCTAVIUS 4D验证设备对全中枢容积旋转调强放疗计划进行接野部位剂量验证的可行性和准确性,为全中枢容积旋转调强放疗计划接野部位剂量验证提供参考方法。方法:选取12例接受全中枢容积旋转调强接野放疗的患者,在治疗计划系统中分别建立头部中心、胸部中心、腹部中心验证计划和头胸射野衔接处、胸腹射野衔接处验证计划,通过OCTAVIUS 4D验证设备采集真实剂量。通过前后移床验证相邻中心射野衔接处的剂量分布。使用Verisoft 7.1软件分析全中枢容积旋转调强放疗单中心验证计划和射野衔接处验证计划的γ通过率。结果:阈值为10%时,头部、胸部和腹部中心计划在3 mm/3%标准下的γ通过率分别为(99.68±0.60)%、(99.63±0.52)%和(99.53±0.86)%,高于美国医学物理学家协会(American Association of Physicists in Medicine,AAPM)报告的关于治疗前患者计划剂量验证通过率的建议。相同条件下不同相邻中心射野衔接处的剂量分布略有差异,头胸接野部位的γ通过率略低于胸腹接野部位的γ通过率,且差异具有统计学意义(P<0.05)。阈值为10%时,横断面、冠状面、矢状面3 mm/3%标准下的γ通过率超过92%,5 mm/5%标准下的γ通过率则超过97%,均符合放疗计划治疗前的要求。结论:OCTAVIUS 4D验证设备可以用于全中枢容积旋转调强放疗计划剂量验证和接野部位的剂量验证,且接野部位的剂量验证通过率符合相关质控要求。
