Structure determination from powder data : Mogul and CASTEP

When solving the crystal structure of complex molecules from powder data, accurately locating the global minimum can be challenging, particularly where the number of internal degrees of freedom is large. The program Mogul provides a convenient means to access typical torsion angle ranges for fragments related to the molecule of interest. The impact that the application of modal torsion angle constraints has on the structure determination process of two structure solution attempts using DASH is presented. Once solved, accurate refinement of a molecular structure against powder data can also present challenges. Geometry optimisation using density functional theory in CASTEP is shown to be an effective means to locate hydrogen atom positions reliably and return a more accurate description of molecular conformation and intermolecular interactions than global optimisation and Rietveld refinement alone

Development of lanthanum nickelate as a cathode for use in intermediate temperature solid oxide fuel cells

The performance of lanthanum nickelate, La2NiO4+δ (LNO), as a cathode in IT-SOFCs with the electrolyte cerium gadolinium oxide, Ce0.9Gd0.1O2−δ (CGO), has been investigated by AC impedance spectroscopy of symmetrical cells. A significant reduction in the area specific resistance (ASR) has been achieved with a layered cathode structure consisting of a thin compact LNO layer between the dense electrolyte and porous electrode. This decrease in ASR is believed to be a result of contact at the electrolyte/cathode boundary enhancing the oxygen ion transfer to the electrolyte. An ASR of 1.0 Ω cm2 at 700 °C was measured in a symmetrical cell with this layered structure, compared to an ASR of 7.4 Ω cm2 in a cell without the compact layer. In addition, further improvements were observed by enhancing the cell current collection and it is anticipated that a symmetrical cell consisting of a layered structure with adequate current collection would lower these ASR values further

Vehicle/engine integration

VEHICLE/ENGINE Integration Issues are explored for orbit transfer vehicles (OTV's). The impact of space basing and aeroassist on VEHICLE/ENGINE integration is discussed. The AOTV structure and thermal protection subsystem weights were scaled as the vehicle length and surface was changed. It is concluded that for increased allowable payload lengths in a ground-based system, lower length-to-diameter (L/D) is as important as higher mixture ration (MR) in the range of mid L/D ATOV's. Scenario validity, geometry constraints, throttle levels, reliability, and servicing are discussed in the context of engine design and engine/vehicle integration

Investigating processing window of Affinisol™ and Plasdone™ - S630 polymers during hot-melt extrusion (for 3D printing by fused deposition modelling)

There are numerous polymers that have been used commercially to produce pharmaceutical solid dispersions and solutions from hot melt extrusion. Affinisol™ (HPMC) and Plasdone™ S630 (PVP based co-povidone copolymer) have been used in the present work to determine the viable processing space with regards thermal and work input on a twin screw extruder. Processing viability has been determined by monitoring degradation, initially assessed by physical appearance and colour of the extrudates across the full operating range of a twin screw extruder. It has been found that the Affinisol™ had a relatively narrow viable operating window compared with the Plasdone™

Pengaruh Disiplin Kerja terhadap Produktivitas Pegawai (suatu Studi di Kantor Kelurahan Tingkulu Kecamatan Wanea Kota Manado)

Labor discipline is a behavioral containing technical aspects that work ethic is the normsthat are binding and are set explicitly and practices such as behavioral attitudes respect, honor, obey, andobey that must be held to be maintained and implemented in government agencies. Problems to beanswered in this study is the work discipline of employees about employee performance affects theproductivity of employees working in the Village Tingkulu Wanea districts of Manado. This study aims todetermine the effect of labor discipline against the employee productivity. These results indicate that thelabor discipline and significant positive effect on the productivity of employees in the Village TingkuluWanea District of Manado City. Based on these conclusions labor discipline must be observed andmaintained on each employee so that the tasks and responsibilities can be a priority terselenggarakan well

Penyelenggaraan Pelayanan Publik di Kantor Kecamatan Malalayang Kota Manado

Excellent service to the community is the most prominent issues in managing public servicestoday. His vigorous demands made by the community to the Government to implement the Organization ofgood governance in line with the increase in the level of the knowledge society, in addition to the presenceof the influence of globalization. Old patterns of organization of the Government does not comply with theorder of people's lives that have been changed. It encourages researchers to review the existing publicservices of Kecamatan Offices in Malalayang Manado city.Methods used in this research is descriptive method of analysis, with data collection through surveys andinterviews with voters question form the necessary information in this study. In this study, respondentsselected by purposive sampling. The respondents in this study is a community that takes care of Manadocity ID card, KK, birth certificate, and the certificate of the subdistrict office Moved Malalayang that addup to 80 people, with the consideration that they may represent a population research. The data analyzedin the descriptive analysis by descriptive statistics using a frequency distribution table.The results showed that: (1) the application of the principles of transparency and accountability in thepublic service in the Office of Sub-district is a low level Malalayang means not yet implemented properly;(2) the productivity of the public service in the low category, meaning that Kecamatan offices of Ministersapparatus Malalayang is less able to work in the public service in accordance with the expectations of theorganization i.e. work achieve the mission and objectives of the Organization; (3) the quality of the publicservice work in the Office of Subdistrict Malalayang in category is low, meaning that it has not been inaccordance with the expectations and desires of the community.The research gives the conclusion that the public service's Office in Manado city Malalayang Sub-districthas not been implemented as expected. For it suggested more needs to be increased transparency andaccountability of public service, public service, productivity and quality of work of public service

Implementation of Tourism Village Policy in South Minahasa Regency

The tourism sector is currently the leading sector of local governments in an effort to develop their regions. South Minahasa Regency, which is rich in tourism potential, establishes a tourism village policy by taking into account the potential of the village. The tourism village policy is expected in addition to managing tourism objects that are owned through local wisdom as well as in an effort to increase community and regional income. By using a qualitative design, it was found that the implementation of tourism village policies in South Minahasa Regency had not been carried out properly judging from the aspects of policy content, implementing organizations and the policy environment. To be able to make the tourism village policy in South Minahasa Regency well implemented, improvements are needed in the preparation and implementation of tourism infrastructure development programs in the village by the South Minahasa Regency Government, strengthening the potential of rural communities through training in making typical village products to support tourism activities, and involving interest groups. such as tourism actors and the private sector to invest in tourism locations

Modal Sosial Pada USAha Penangkapan Ikan Dengan Purse Seine Di Aertembaga Kota Bitung

Penelitian ini bertujuan : 1) Mengidentifikasi modal sosial pada USAha penangkapan ikan dengan Purse seine di Aertembaga Kota Bitung. 2) Menjelaskan aspek modal sosial pada USAha penangkapan ikan dengan Purse seine di Aertembaga Kota Bitung. Metode yang digunakan dalam penelitian ini ialah metode survei.Teknik pengumpulan data terpusat pada teknik wawancara secara mendalam (in-depth interview). Wawancara mendalam, akan menggunakan bahasa dan istilah yang berlaku dalam masyarakat dengan pendekatan kekeluargaan, sehingga dapat dipahami konteks dampak modal sosial terhadap keberlanjutan USAha Purse seine. Metode analisis deskriptif merupakan metode yang digunakan untuk menganalisis data dengan cara mendeskripsikan atau menggambarkan data yang telah terkumpul sebagaimana adanya tanpa bermaksud membuat kesimpulan yang berlaku untuk umum atau generalisasi.Hasil penelitian dan pembahasan dapat disimpulkan : 1) Modal sosial pada responden Purse seine di Aertembaga Kota Bitung yaitu kepercayaan, norma sosial dan interaksi sosial. 2) Modal sosial berperan penting dalam USAha penangkapan ikan dengan purse seine dalam hal akses sumberdaya modal, sumberdaya manusia dan penjualan hasil tangkapan, dalam interaksi sosial mengandalkan kepercayaan yang telah terbangun membentuk norma sosial

Modal Sosial Pada USAha Penangkapan Ikan Dengan Purse Seine Di Aertembaga Kota Bitung

This study aims to: 1) Identify the social capital in the venture with Purse seine fishing in Aertembaga Bitung City. 2) Describe the aspects of social capital in businesses with Purse seine fishing in Aertembaga Bitung City. The method used in this research is a survey method. Data collection techniques focused on in-depth interview technique (in-depth interview). In-depth interviews, will use language and terms that apply in the community with a family approach, so as to understand the context of the social capital impact business continuity Purse seine. The data were then processed and analyzed descriptively. Descriptive analysis method is the method used to analyze data in ways that describe or depict the data that has been collected as it is without intending to apply to general conclusions or generalizations.Results of research and discussion can be concluded: 1) Social capital on respondents Aertembaga Purse seine in Bitung: trust, social norms and social interaction. 2) Social capital plays an important role in efforts to purse seine fishing in terms of access to capital resources, human resources and sales of catches, in social interactions rely on the trust that has been built to form a social norm