Modeling of structures fcc lattices for calculating the short range order parameters

Program that allows to calculate the parameters of short-range order of the bcc, fcc and simple cubic lattices has been developed. The verification program was carried for the two structures (TiAl3 and Cu3Au). The values of the short-range order parameters for the first two coordination spheres agree with the theoretically expected values, and at the same time are different for the two studied structures. Also, the influence on the value of short range order parameters with the appearance in an ideal material short-range ordering structure was investigated. It is shown that only a change in position from 2 to 6 atoms of 108 reduces the modulus values of short range order parameters for the first and second coordination spheres at preservation its sign. This confirms that the short-range order parameter values determined by the relative location of the atoms in the structure, rather than their concentration

Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives

通讯作者地址: Yang, SY (通讯作者), Xiamen Univ, Dept Chem, State Key Lab Phys Chem Solid Surface, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China 地址: 1. Xiamen Univ, Dept Chem, State Key Lab Phys Chem Solid Surface, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China 2. W Anhui Univ, Dept Chem, Luan 237012, Peoples R China 电子邮件地址: [email protected] coordination polymers [Zn4(H2O)(ip)4(py)6]n1, {[Zn2(hip)2(py)4]2·(py)}n2, [Zn(tbip)(py)2]n3 and [Mn(tbip)(py)2]n4 (H2ip = isophthalic acid, H2hip = 5-hydroxyisophthalic acid, H2tbip = 5-tert-butylisophthalic acid, py = pyridine), have been hydrothermally synthesized and characterized. The photoluminescent properties of 1–3 have also been investigated. For 1–3, as substituents change from H, OH to tert-butyl, the coordination numbers of Zn2+ ions decrease, and the dimensionalities of the structures of 1–3 decrease from 2D (4,4) net, 1D double stranded chain to 1D chain. For 3 and 4, as Mn2+ tends to have a higher coordination number as compared to Zn2+, the structure of 4 is a 2D (4,4) net while the structure of 3 is a 1D chain. The substituents on isophthalic acid influence the coordination environments of metal ions and the coordination modes of the carboxyls, and thus determine the structures of the coordination polymers. The coordination behavior of metal ions also affects the formation of the structures.National Natural Science Foundation of China 20471049 20721001 20725310 20673085 National Basic Research Program of China (973 Program) 2007CB815301 2007CB81530

Punishment, Pathology or Possibility: Caseworker Discretion, Mental Illness, and Welfare Sanctions

This study was designed to explore the ways that caseworkers in the Minnesota Family Investment Program (MFIP) make decisions in situations of client noncompliance. The research question was: what factors impact the decision-making of MFIP caseworkers around the question of noncompliance? Ten in-person interviews were conducted, recorded, coded and analyzed. Caseworkers identified that client noncompliance can be caused by mental illness or environmental factors in clients’ lives such as lack of community capital and transportation infrastructure or domestic violence. Caseworkers also identified that client noncompliance is frequently caused by factors internal to the MFIP bureaucracy, which clients have little influence on. Although some caseworkers indicated clients can be to blame for noncompliance, caseworkers also referred to numerous ways that the structure of the MFIP system itself contributes to client noncompliance. Recommendations include cross-training caseworkers with social workers and mental health providers, increasing service coordination and collaboration, and abolishing punitive financial sanctions in the MFIP program in order to establish incentive-based casework methods. Further research can be conducted on the ways that factors at the micro, meso and macro levels affect caseworker decision-making, and what changes can be made to improve services to clients and contribute to an overall reduction in family poverty

Punishment, Pathology or Possibility: Caseworker Discretion, Mental Illness, and Welfare Sanctions

This study was designed to explore the ways that caseworkers in the Minnesota Family Investment Program (MFIP) make decisions in situations of client noncompliance. The research question was: what factors impact the decision-making of MFIP caseworkers around the question of noncompliance? Ten in-person interviews were conducted, recorded, coded and analyzed. Caseworkers identified that client noncompliance can be caused by mental illness or environmental factors in clients’ lives such as lack of community capital and transportation infrastructure or domestic violence. Caseworkers also identified that client noncompliance is frequently caused by factors internal to the MFIP bureaucracy, which clients have little influence on. Although some caseworkers indicated clients can be to blame for noncompliance, caseworkers also referred to numerous ways that the structure of the MFIP system itself contributes to client noncompliance. Recommendations include cross-training caseworkers with social workers and mental health providers, increasing service coordination and collaboration, and abolishing punitive financial sanctions in the MFIP program in order to establish incentive-based casework methods. Further research can be conducted on the ways that factors at the micro, meso and macro levels affect caseworker decision-making, and what changes can be made to improve services to clients and contribute to an overall reduction in family poverty

Coordinating Knowledge Work in Multi-Team Programs: Findings from a Large-Scale Agile Development Program

Software development projects have undergone remarkable changes with the arrival of agile development methods. While intended for small, self-managing teams, these methods are increasingly used also for large development programs. A major challenge in programs is to coordinate the work of many teams, due to high uncertainty in tasks, a high degree of interdependence between tasks and because of the large number of people involved. This revelatory case study focuses on how knowledge work is coordinated in large-scale agile development programs by providing a rich description of the coordination practices used and how these practices change over time in a four year development program with 12 development teams. The main findings highlight the role of coordination modes based on feedback, the use of a number of mechanisms far beyond what is described in practitioner advice, and finally how coordination practices change over time. The findings are important to improve the outcome of large knowledge-based development programs by tailoring coordination practices to needs and ensuring adjustment over time.Comment: To appear in Project Management Journa

\u3cem\u3eN\u3c/em\u3e-Methylbenzothiazole-2(3\u3cem\u3eH\u3c/em\u3e)-selone, C\u3csub\u3e8\u3c/sub\u3eH\u3csub\u3e7\u3c/sub\u3eNSSe

The crystal structure of N-methyl1,3-benzothiazole-2(3H)-selone, (mbts) has been studied to estimate the changes in the molecular geometry of the mbts ligand upon coordination. Hypervalent complexes of mbts with TeII and II have been studied by us previously. A significant elongation of the Se=C bond [from 1.817 (7) in mbts to 1.85-1.88 Å in the complexes] was found, but there were no significant changes in the other geometric parameters of the ligand. The only other bond-length decrease of note was for SeC-NMe [from 1.35 (1) in mbts to 1.32-1.34 Å in the complexes]. Thus, only the amino group takes part in electron redistribution upon coordination

Covering Kids & Families Evaluation: Sustaining the Effects of Covering Kids & Families on Policy Change

Presents results of a follow-up survey of Medicaid and State Children's Health Insurance Program officials to assess the policy and procedural changes shaped by Covering Kids & Families, RWJF's initiative to expand enrollment in these programs

Explaining Tax Reform

Economic analysts generally have a more dispassionate attitude toward the subject. They are interested primarily in studying the effects of taxation on individual behavior and market prices, and in describing the distributional effects of tax policies. When the discussion turns to changes in the tax system, however, positive analysis may be replaced by advocacy of particular alternatives. This is illustrated by the frequent use of the word "reform" in the literature, a term usually employed to refer to changes designed to make the system better, where "better" is judged in relation to some ideal standard.Working Paper Number 04-48