cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1910317-1
title: Comparison of Dynamical Behaviour in MAPbX3 and FAPbX3: How Do They Differ ?

description: Organic-inorganic lead halide perovskite compounds are shown to be very promising candidates for low cost, solution-processable, highly efficient (&gt;22%) solar cells with a short energy payback time. The interesting feature of these materials is the presence of an organic molecular ion at the A site of the ABX3 structure. Many of the remarkable properties of the halide perovskites have been attributed to the dipolar nature and the dynamic behaviour of these cations. Therefore dynamics of molecular motion is an important prerequisite for mechanistic explanations of the outstanding optoelectronic properties of these systems. Methylammonium lead hallide (MAPbX3) and formamidinium lead hallide (FAPbX3), X=I, Br, Cl, has been the subject of great interest. We would like to investigate the dynamical behaviour of these systems using quasielastic neutron scattering technique.
DOI: 10.5286/isis.e.rb1920523
title: Investigation of maleic-d2 acid isomerization at high pressure

description: Experiments performed in our laboratory indicate that maleic acid undergoes an unexpected structural change when subject to high pressure and temperature conditions. For these experiments, a high pressure sample chamber is used that does not allow us to monitor the sample during the experiment. Ideally, we would be able to monitor the sample during application of high pressure and temperature conditions to identify specific conditions at which structural changes occurThe aim of the proposed experiment is to address the question of what structural changes are occurring to maleic acid as we apply high pressure and temperature conditions. We will use neutron diffraction to monitor the sample as we change the sample environment and the data collected will allow us to identify the solid form that is present in the sample chamber at well-defined conditions of pressure and temperature
DOI: 10.5286/isis.e.rb1920523-1
title: Investigation of maleic-d2 acid isomerization at high pressure

description: Experiments performed in our laboratory indicate that maleic acid undergoes an unexpected structural change when subject to high pressure and temperature conditions. For these experiments, a high pressure sample chamber is used that does not allow us to monitor the sample during the experiment. Ideally, we would be able to monitor the sample during application of high pressure and temperature conditions to identify specific conditions at which structural changes occurThe aim of the proposed experiment is to address the question of what structural changes are occurring to maleic acid as we apply high pressure and temperature conditions. We will use neutron diffraction to monitor the sample as we change the sample environment and the data collected will allow us to identify the solid form that is present in the sample chamber at well-defined conditions of pressure and temperature
DOI: 10.5286/isis.e.rb1920604
title: Influence of lattice misfit on interphase load partitioning at high temperature in precipitate strengthened ferritic alloys

description: Fe-Al alloys strengthened by coherent phases are designed for high-temperature (HT) applications in thermal power plants. Lattice misfit (LM) between phases plays an important role in the microstructure and HT performance of structural materials (e.g. creep resistance). Hence, LM can give guidance for the development of new HT alloys, but only with proper micromechanical understanding of the interaction between matrix and precipitates at operation temperatures. We found that small Ti addition in ferritic Fe-Al-V alloys strengthened by L21 precipitates can produce similar alloys but with negative, null or positive LM. Hence, we propose to perform Neutron diffraction in-situ tensile tests, at 873K and with loads up 800MPa, to answer the question: What value and sign of LM are optimal to increase the load transfer from the matrix to the precipitate at HT on L21-strengthened ferritic alloys?
DOI: 10.5286/isis.e.rb1920604-1
title: Influence of lattice misfit on interphase load partitioning at high temperature in precipitate strengthened ferritic alloys

description: Fe-Al alloys strengthened by coherent phases are designed for high-temperature (HT) applications in thermal power plants. Lattice misfit (LM) between phases plays an important role in the microstructure and HT performance of structural materials (e.g. creep resistance). Hence, LM can give guidance for the development of new HT alloys, but only with proper micromechanical understanding of the interaction between matrix and precipitates at operation temperatures. We found that small Ti addition in ferritic Fe-Al-V alloys strengthened by L21 precipitates can produce similar alloys but with negative, null or positive LM. Hence, we propose to perform Neutron diffraction in-situ tensile tests, at 873K and with loads up 800MPa, to answer the question: What value and sign of LM are optimal to increase the load transfer from the matrix to the precipitate at HT on L21-strengthened ferritic alloys?
DOI: 10.5281/zenodo.3358547
title: What evidence exists for myofunctional therapy with prefabricated appliances? A systematic review with meta-analyses of randomized trials

description: Dataset for all analysis in the review
DOI: 10.5281/zenodo.3358548
title: What evidence exists for myofunctional therapy with prefabricated appliances? A systematic review with meta-analyses of randomized trials

description: Dataset for all analysis in the review
DOI: 10.5286/isis.e.rb1820306
title: Thermal expansion of Mg: pre-melting effects in hcp metals and the Earth's inner core

description: Ab initio computer simulations have suggested that pre-melting phenomena occur in the elastic properties of hcp-iron at the conditions of the Earths inner core just before melting and that these effects might be responsible for the fact that shear-wave velocities in the inner core determined by seismology are significantly lower than those expected on the basis of computer simulations of the properties of the inner-core constituents. Computer simulations of another hcp metal, Mg, have also indicated that similar pronounced changes in density and in elastic moduli occur (at atmospheric pressure) just prior to melting at, T/Tm &gt; ~ 0.97. The aim of this proposal is to underpin the simulation methodology by investigating experimentally to what extent pre-melting behaviour influences the density and thermal expansion in Mg at atmospheric pressure.
DOI: 10.5286/isis.e.rb1820306-1
title: Thermal expansion of Mg: pre-melting effects in hcp metals and the Earth's inner core

description: Ab initio computer simulations have suggested that pre-melting phenomena occur in the elastic properties of hcp-iron at the conditions of the Earths inner core just before melting and that these effects might be responsible for the fact that shear-wave velocities in the inner core determined by seismology are significantly lower than those expected on the basis of computer simulations of the properties of the inner-core constituents. Computer simulations of another hcp metal, Mg, have also indicated that similar pronounced changes in density and in elastic moduli occur (at atmospheric pressure) just prior to melting at, T/Tm &gt; ~ 0.97. The aim of this proposal is to underpin the simulation methodology by investigating experimentally to what extent pre-melting behaviour influences the density and thermal expansion in Mg at atmospheric pressure.
DOI: 10.5286/isis.e.rb1910405
title: Molecular interactions of etiracetam and water in solution

description: Active pharmaceutical ingredient (APIs) are frequently delivered to the patient in the solid-state as part of an approved dosage form (e.g., tablets, capsules, etc.). Drug compounds tend to crystallise into different crystal forms, some of which incorporate solvent (water). We are investigating the factors leading to water incorporation. RS-Etiracetam exists in two polymorphs and a monohydrate, but its enantiomer S-Etiracetam does not form either polymorph or hydrate. Our preliminary data shows interaction between the NH2 and C=O moieties and water, which is potentially critical for the formation of the monohydrate but does not explain the different solid-state behaviour between the racemate and the enantiomer. We thus propose to measure neutron total scattering on SANDALS for RS-Etiracetam and S-Etiracetam to elucidate why the racemate forms a hydrate and the pure enantiomer does not.
DOI: 10.5286/isis.e.rb1910405-1
title: Molecular interactions of etiracetam and water in solution

description: Active pharmaceutical ingredient (APIs) are frequently delivered to the patient in the solid-state as part of an approved dosage form (e.g., tablets, capsules, etc.). Drug compounds tend to crystallise into different crystal forms, some of which incorporate solvent (water). We are investigating the factors leading to water incorporation. RS-Etiracetam exists in two polymorphs and a monohydrate, but its enantiomer S-Etiracetam does not form either polymorph or hydrate. Our preliminary data shows interaction between the NH2 and C=O moieties and water, which is potentially critical for the formation of the monohydrate but does not explain the different solid-state behaviour between the racemate and the enantiomer. We thus propose to measure neutron total scattering on SANDALS for RS-Etiracetam and S-Etiracetam to elucidate why the racemate forms a hydrate and the pure enantiomer does not.
DOI: 10.5286/isis.e.rb1920063
title: Short range spin ice type correlations of HoAgGe by diffuse neutron scattering

description: Spin ices are exotic phases of matter characterized by frustrated spins obeying local ice rules that minimize the number of spatially isolated magnetic monopoles, in analogy with the electric dipoles in water ice. In two dimensions, one can similarly define ice rules for in-plane Ising-like spins arranged on a kagome lattice, which could lead to a variety of unique orders and excitations. Based on single-crystal neutron diffraction results, we determine the magnetic structures of HoAgGe both at 10K and 4K, consistent with classical kagome spin ice predicted theoretically before. As far as we know this is the first time that such an order is observed in a naturally existing material. According to this scenario, above the long range magnetic order, there should be a short-range order satisfying the ice rule. To further verify such correlations, we plan to do diffuse neutron scattering.
DOI: 10.5286/isis.e.rb1920063-1
title: Short range spin ice type correlations of HoAgGe by diffuse neutron scattering

description: Spin ices are exotic phases of matter characterized by frustrated spins obeying local ice rules that minimize the number of spatially isolated magnetic monopoles, in analogy with the electric dipoles in water ice. In two dimensions, one can similarly define ice rules for in-plane Ising-like spins arranged on a kagome lattice, which could lead to a variety of unique orders and excitations. Based on single-crystal neutron diffraction results, we determine the magnetic structures of HoAgGe both at 10K and 4K, consistent with classical kagome spin ice predicted theoretically before. As far as we know this is the first time that such an order is observed in a naturally existing material. According to this scenario, above the long range magnetic order, there should be a short-range order satisfying the ice rule. To further verify such correlations, we plan to do diffuse neutron scattering.
DOI: 10.5286/isis.e.rb1920181
title: Packing of DNA in glioma nuclei

description: To answer the question how DNA is packed inside the interphase nucleus at the micron scale, we propose SESANS experiment using contrast variation technique from human glioma nuclei. The previous SESANS measurements from chicken erythrocite and HeLa nuclei in D2O have shown exponential SESANS correlation function of the nucleus. The exponential decay of the SESANS function indicates that nucleas has a logarithmic correlation function on the micron scale [Iashina (2017)]. Logarithmic correlation function correspond to hierarchically branched structure like a tree. Such structure provides high accessibility of enzymes to specific gene site.
DOI: 10.5286/isis.e.rb1920272
title: High-temperature diffraction studies to investigate the Li-ion migration pathway in the inverse spinel, Li3CrV2O8

description: We propose to study the crystal structure of the inverse spinel Li3CrV2O8 using variable temperature powder neutron diffraction. By conducting these neutron experiments, we will be able to determine where Li resides within the crystal structure, and from this we will be able to determine the lithium diffusion pathway in this promising Li-ion battery material. We will also be able to use the data to determine the oxygen site positions and thermal parameters, and how any cation mixing present in the material may vary with temperature.This information will allow us to better understand the functional properties of the inverse spinel Li3CrV2O8, and how to optimise these to improve performance.
DOI: 10.5286/isis.e.rb1920272-1
title: High-temperature diffraction studies to investigate the Li-ion migration pathway in the inverse spinel, Li3CrV2O8

description: We propose to study the crystal structure of the inverse spinel Li3CrV2O8 using variable temperature powder neutron diffraction. By conducting these neutron experiments, we will be able to determine where Li resides within the crystal structure, and from this we will be able to determine the lithium diffusion pathway in this promising Li-ion battery material. We will also be able to use the data to determine the oxygen site positions and thermal parameters, and how any cation mixing present in the material may vary with temperature.This information will allow us to better understand the functional properties of the inverse spinel Li3CrV2O8, and how to optimise these to improve performance.
DOI: 10.5286/isis.e.rb1920181-1
title: Packing of DNA in glioma nuclei

description: To answer the question how DNA is packed inside the interphase nucleus at the micron scale, we propose SESANS experiment using contrast variation technique from human glioma nuclei. The previous SESANS measurements from chicken erythrocite and HeLa nuclei in D2O have shown exponential SESANS correlation function of the nucleus. The exponential decay of the SESANS function indicates that nucleas has a logarithmic correlation function on the micron scale [Iashina (2017)]. Logarithmic correlation function correspond to hierarchically branched structure like a tree. Such structure provides high accessibility of enzymes to specific gene site.
DOI: 10.5286/isis.e.rb1920252
title: Variable temperature studies of x = 0.10, 0.25, 0.50 and 0.75, Bi1-xNaxFe1-xNbxO3 materials

description: Multiferroic materials exhibiting at least two ferroic orders are the subject of extensive research due to many potential technological applications. Bismuth ferrite (BFO) is by far the most studied multiferroicsince it exhibits room temperature magnetic and electric ordering. However, despite the potential of BFO there are many barriers to its commercial application. Researchers have been looking at ways to overcome these issues by replacing either the bismuth and/or iron in BFO. We have been exploring the solid solution between BFO and another technologically important material sodium niobate. Recent neutron diffraction data collected at room temperature shows that these materials are complex. We would now like to extend or initial study to look at the temperature dependence of four key compositions. This will allow us to complete the understanding of this phase diagram.
DOI: 10.5286/isis.e.rb1920252-1
title: Variable temperature studies of x = 0.10, 0.25, 0.50 and 0.75, Bi1-xNaxFe1-xNbxO3 materials

description: Multiferroic materials exhibiting at least two ferroic orders are the subject of extensive research due to many potential technological applications. Bismuth ferrite (BFO) is by far the most studied multiferroicsince it exhibits room temperature magnetic and electric ordering. However, despite the potential of BFO there are many barriers to its commercial application. Researchers have been looking at ways to overcome these issues by replacing either the bismuth and/or iron in BFO. We have been exploring the solid solution between BFO and another technologically important material sodium niobate. Recent neutron diffraction data collected at room temperature shows that these materials are complex. We would now like to extend or initial study to look at the temperature dependence of four key compositions. This will allow us to complete the understanding of this phase diagram.
DOI: 10.5286/isis.e.rb1920708
title: A detailed study of magnetic diffuse scattering in a low-dimension ferromagnet CePdSb

description: We have carried out detailed investigations on the ferromagnetic (FM) Kondo lattice CePdSb, in polycrystal as well as single crystal form (TC=17.5K) using magnetization, neutron diffraction, inelastic neutron scattering and heat capacity. This has turned out to be an extraordinary compound, which exhibits pronounced anomaly at 10 K, well below TC=17.5K in the heat capacity and small-angle neutron scattering (SANS) and very weak anomaly at TC. Surprisingly, the correlation lengths in the ab-plane as well as along the c-axis are finite between TC and 10 K and the correlation lengths diverse only below 10K. Our preliminary study of the diffuse scattering in CePdSb on PRISMA (RB 20357) reveals a clear presence of diffuse scattering at 12K. We propose here to carry out a detailed diffuse scattering study in CePdSb using the SXD diffractometer at various temperatures between 2K and 50K.
DOI: 10.5286/isis.e.rb1920708-1
title: A detailed study of magnetic diffuse scattering in a low-dimension ferromagnet CePdSb

description: We have carried out detailed investigations on the ferromagnetic (FM) Kondo lattice CePdSb, in polycrystal as well as single crystal form (TC=17.5K) using magnetization, neutron diffraction, inelastic neutron scattering and heat capacity. This has turned out to be an extraordinary compound, which exhibits pronounced anomaly at 10 K, well below TC=17.5K in the heat capacity and small-angle neutron scattering (SANS) and very weak anomaly at TC. Surprisingly, the correlation lengths in the ab-plane as well as along the c-axis are finite between TC and 10 K and the correlation lengths diverse only below 10K. Our preliminary study of the diffuse scattering in CePdSb on PRISMA (RB 20357) reveals a clear presence of diffuse scattering at 12K. We propose here to carry out a detailed diffuse scattering study in CePdSb using the SXD diffractometer at various temperatures between 2K and 50K.
DOI: 10.14457/cu.the.2008.1451
title: Supersets of wavelet sets

description: In this thesis, we consider a two-basic set which is defined as a set whose both integral translations and dyadic dilations cover R and that intersects itself at most twice translationally and dilationally. We obtain some necessary conditions and some sufficient conditions for a two-basic set S to contain a wavelet set. The main results, which are in terms of the relationship between two explicitly constructed subsets A and B of S and two subsets T2 and D2 of S intersecting itself exactly twice translationally and dilationally respectively, are that (1) if A∪B ⊈ T2 ∩D2 then S does not contain a wavelet set; and that (2) if A∪B ⊆ T2∩D2 then every wavelet subset of S must be a subset of S\(A∪B) and if S\(A ∪ B) satisfies a “weak” condition then there exists a wavelet subset of S \ (A ∪ B).
DOI: 10.14457/cu.the.2008.1452
title: Evaluation of government construction contract and contractors' risk philosophies in the Philippines

description: Researchers of late have started to realize the significance in risk management of investigating the construction practitioners' risk philosophies. This study examined the risk philosophies of Filipino contractors with the aim of representing their judgements and standpoints as this study review the standard construction contract of the Philippines. The contractors' risk perceptions as regards criticality were initially identified to determine which risk factors are crucial and worth investigating. Twenty-six construction risks obtained from literature were included in the survey distributed to top local contractors. These risks eventually got critical ratings by the respondents and, in addition to this list, Rebel Tax and Political Intervention were put forward as other risks that could be relevant to the local industry. For all of these risks, the risk allocation preferences of the contractors were identified through interviews to confirm if they are in agreement with the actual risk allocation of the standard contract as well as risk principles. A deviation of one or every subject from each other was observed for some risk items suggesting that it is a potential cause of disputes and a more critical evaluation is necessary. Fifteen out of the twenty-eight risks were found to have these conflicts and were further evaluated objectively to determine the appropriate risk allocation to implement. Recommendations with justifications on which party/parties should bear the risks were provided in order to improve the contract implementation, especially when the risk event occurs.
DOI: 10.5286/isis.e.rb1910024
title: Origin of the structural relaxation in ice V and the H/D volume isotope effect

description: Ice V is disordered monoclinic polymorph of water ice, with a complex structural topology. In our work on ice V (recovered to atmospheric pressure at liquid-nitrogen temperatures) we have observed a structural relaxation we believe is due to a change in the orientational order of the water molecules. To test this hypothesis, we propose to measure high-quality structural datasets from both the un-relaxed and the relaxed forms of D2O ice V using high-resolution neutron powder diffraction. Our earlier work also showed that ice V exhibits negative linear expansion along its c-axis, a property we believe to be correlated with anomalous lattice expansion due to isotopic substitution. Since these isotope effects have proven so challenging to predict computationally, experimental verification of these correlations are essential, and we propose also to measure high-resolution data from H2O ice V.
DOI: 10.14457/cu.the.2008.1453
title: Movie recommender system using multidimensional and weighted multiple criteria data

description: Most of current Recommender Systems based on Content-Based Filtering, Collaborative Filtering, Demographic Filtering and Hybrid Filtering which are concentrated on user and item entities. Many research papers are improved by pointing out either Multiple Criteria Rating approach or Multidimensional approach for Recommender System. This paper proposes an advanced Recommender System to provide higher quality of recommendations by combining the Multiple Criteria rating and the Multidimensional approaches. For the Multiple Criteria approach, this paper proposed a method that changes the way of weighting to be more suitable and also concern about the frequency of the selection movie features. To do Multidimensional approach, the Multiple Linear Regression is applied to analyze the contextual information of user characteristics. According to the experimental evaluation, the combining of Multiple Criteria Rating and Multidimensional approaches provide more accurate recommendation results than the current Hybrid Recommender Systems.