cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1820349-2
title: Nanostructures in hydrophobic deep eutectic solvents

description: Deep eutectic solvents (DES) are mixtures of organic salts and hydrogen bond donors, that form strongly hydrogen-bonded room temperature liquids. DES share many features with ionic liquids (ie. tunable physicochemical properties) which makes them viable green solvents that are less toxic than typical ILs. Recently a series of "hydrophobic" DES have been reported which do not mix with water, and are composed of menthol with long chain fatty acids. We have demonstrated that these solvents have internal nanoscale structure, and preferentially solubilise hydrophobic species. We wish to determine if these species swell the hydrophobic region of the solvent, and thus whether these solvents can be used to sequester species such as styrene, to alter reactivity ratios in co-polymerisations or to alter the micellisation of surfactants to control synthesis of mesoporous inorganic materials.
DOI: 10.5286/isis.e.rb1820458
title: Pressure induced softening in ScF3

description: Recently we have suggested that negative thermal expansion materials will also show an effect called pressure-induced softening, where shown that the elastic stiffness is anomalously reduced on compression. That is, if B is the bulk modulus, the derivative dB/dP is negative. We have previously shown that in Zn(CN)2 that the dB/dP has a striking temperature-dependence, with positive value at low temperature, then quickly falling to a maximal negative value before slowly tending towards zero at high temperature. We have recently predicted from simulation that the same effect in ScF3 may be an order of magnitude larger. The purpose of this proposal is to test this prediction using powder diffraction and performing measurements across the two-dimensional space of both pressure and temperature. The experiment will be performed using the gas cell pressure device within a cryostat.
DOI: 10.5286/isis.e.rb1910266-1
title: Muon spin relaxation study of the single crystals of rare-earth chalcogenides AReCh2 - candidates of quantum spin liquid

description: Exploring the exotic quantum phenomena and the related ground state of the frustrated quantum magnets has emerged as a forefront area of condensed matter physics. These behaviors have been recognized to be related to the interplays of charge, spin, orbital, and lattice, which could lead to several intriguing phenomena. AReCh2 has a triangular lattice and no well-defined long-range magnetic order is observed in the single crystal form, which suggests the system as a potential candidate of quantum spin liquids. Therefore, further measurements are required to verify this conjecture. MuSR is sensitive to very small local magnetic field, and a powerful technique to investigate quantum spin liquid. In this proposal, we would like to use the MUSR (or EMU) spectrometer to measure the magnetic properties of NaYbS2 and NaYbSe2 single crystals.
DOI: 10.5286/isis.e.rb1910425
title: Topological magnons in Cu2OSeO3

description: Recently, it was predicted topological nature of the magnetic excitations of Cu2OSeO3. It turned out that the system belongs to the class of topologically non-trivial magnets with the appropriate protected gaps in the bulk magnetic spectrum which are closed approaching the boundaries of the crystal. This magnetic Weyl points are presumably caused by the chiral crystal structure. The theory predicts the appearance of the gaps in R and G points at around 12 and 9 meV respectively. The splittings are of the order of 1 meV. It was additionally found that the presence of the DMI causes the Weyl points to move in the K-space in a complicated manner. Here we propose to compare the theoretical predictions with the neutron spectrum.
DOI: 10.5286/isis.e.rb1910425-1
title: Topological magnons in Cu2OSeO3

description: Recently, it was predicted topological nature of the magnetic excitations of Cu2OSeO3. It turned out that the system belongs to the class of topologically non-trivial magnets with the appropriate protected gaps in the bulk magnetic spectrum which are closed approaching the boundaries of the crystal. This magnetic Weyl points are presumably caused by the chiral crystal structure. The theory predicts the appearance of the gaps in R and G points at around 12 and 9 meV respectively. The splittings are of the order of 1 meV. It was additionally found that the presence of the DMI causes the Weyl points to move in the K-space in a complicated manner. Here we propose to compare the theoretical predictions with the neutron spectrum.
DOI: 10.25606/surf.578c6039-3d9dc76d
title: The Cosmogrid Simulation: Statistical Properties of Small Dark Matter Halos (1024-073)

description: We present the results of the "Cosmogrid" cosmological N-body simulation suites based on the concordance LCDM model. The Cosmogrid simulation was performed in a 30 Mpc box with 2048³ particles. The mass of each particle is 1.28x10^5 Msun, which is sufficient to resolve ultra-faint dwarfs. We found that the halo mass function shows good agreement with the Sheth & Tormen fitting function down to ~10^7 Msun. We have analyzed the spherically averaged density profiles of the three most massive halos which are of galaxy group size and contain at least 170 million particles. The slopes of these density profiles become shallower than -1 at the inner most radius. We also find a clear correlation of halo concentration with mass. The mass dependence of the concentration parameter cannot be expressed by a single power law, however a simple model based on the Press-Schechter theory proposed by Navarro et al. gives reasonable agreement with this dependence. The spin parameter does not show a correlation with the halo mass. The probability distribution functions for both concentration and spin are well fitted by the log-normal distribution for halos with the masses larger than ~10^8 Msun. The subhalo abundance depends on the halo mass. Galaxy-sized halos have 50% more subhalos than ~10^11 Msun halos have. This is snapshot 073 of the 1024³ resolution collection.
DOI: 10.25606/surf.578c6039-3de48370
title: The Cosmogrid Simulation: Statistical Properties of Small Dark Matter Halos (1024-079)

description: We present the results of the "Cosmogrid" cosmological N-body simulation suites based on the concordance LCDM model. The Cosmogrid simulation was performed in a 30 Mpc box with 2048³ particles. The mass of each particle is 1.28x10^5 Msun, which is sufficient to resolve ultra-faint dwarfs. We found that the halo mass function shows good agreement with the Sheth & Tormen fitting function down to ~10^7 Msun. We have analyzed the spherically averaged density profiles of the three most massive halos which are of galaxy group size and contain at least 170 million particles. The slopes of these density profiles become shallower than -1 at the inner most radius. We also find a clear correlation of halo concentration with mass. The mass dependence of the concentration parameter cannot be expressed by a single power law, however a simple model based on the Press-Schechter theory proposed by Navarro et al. gives reasonable agreement with this dependence. The spin parameter does not show a correlation with the halo mass. The probability distribution functions for both concentration and spin are well fitted by the log-normal distribution for halos with the masses larger than ~10^8 Msun. The subhalo abundance depends on the halo mass. Galaxy-sized halos have 50% more subhalos than ~10^11 Msun halos have. This is snapshot 079 of the 1024³ resolution collection.
DOI: 10.25606/surf.578c6039-5cdb6cb3
title: The Cosmogrid Simulation: Statistical Properties of Small Dark Matter Halos (1024-069)

description: We present the results of the "Cosmogrid" cosmological N-body simulation suites based on the concordance LCDM model. The Cosmogrid simulation was performed in a 30 Mpc box with 2048³ particles. The mass of each particle is 1.28x10^5 Msun, which is sufficient to resolve ultra-faint dwarfs. We found that the halo mass function shows good agreement with the Sheth & Tormen fitting function down to ~10^7 Msun. We have analyzed the spherically averaged density profiles of the three most massive halos which are of galaxy group size and contain at least 170 million particles. The slopes of these density profiles become shallower than -1 at the inner most radius. We also find a clear correlation of halo concentration with mass. The mass dependence of the concentration parameter cannot be expressed by a single power law, however a simple model based on the Press-Schechter theory proposed by Navarro et al. gives reasonable agreement with this dependence. The spin parameter does not show a correlation with the halo mass. The probability distribution functions for both concentration and spin are well fitted by the log-normal distribution for halos with the masses larger than ~10^8 Msun. The subhalo abundance depends on the halo mass. Galaxy-sized halos have 50% more subhalos than ~10^11 Msun halos have. This is snapshot 069 of the 1024³ resolution collection.
DOI: 10.5286/isis.e.rb1820458-1
title: Pressure induced softening in ScF3

description: Recently we have suggested that negative thermal expansion materials will also show an effect called pressure-induced softening, where shown that the elastic stiffness is anomalously reduced on compression. That is, if B is the bulk modulus, the derivative dB/dP is negative. We have previously shown that in Zn(CN)2 that the dB/dP has a striking temperature-dependence, with positive value at low temperature, then quickly falling to a maximal negative value before slowly tending towards zero at high temperature. We have recently predicted from simulation that the same effect in ScF3 may be an order of magnitude larger. The purpose of this proposal is to test this prediction using powder diffraction and performing measurements across the two-dimensional space of both pressure and temperature. The experiment will be performed using the gas cell pressure device within a cryostat.
DOI: 10.5286/isis.e.rb1900142
title: Impact of AlCl3 on SLES / SDS self-assembly

description: It is now well established that the addition of the trivalent counterion, Al3+, induces surface multilayer formation in a range of anionic surfactants, including SLES, MES and SDS. A complex evolution in the extent of the surface ordering occurs with increasing surfactant and Al3+ concentration. In SDS / SLES mixtures some significant differences in that evolution of structure are observed compared to the pure components. These are attributed to the interplay with the associated bulk phase behaviour. In order to understand this potentially important trend SANS measurements are urgently required.
DOI: 10.5286/isis.e.rb1900142-1
title: Impact of AlCl3 on SLES / SDS self-assembly

description: It is now well established that the addition of the trivalent counterion, Al3+, induces surface multilayer formation in a range of anionic surfactants, including SLES, MES and SDS. A complex evolution in the extent of the surface ordering occurs with increasing surfactant and Al3+ concentration. In SDS / SLES mixtures some significant differences in that evolution of structure are observed compared to the pure components. These are attributed to the interplay with the associated bulk phase behaviour. In order to understand this potentially important trend SANS measurements are urgently required.
DOI: 10.5286/isis.e.rb1900145
title: A Multiparameter muSR Study for Bioelectronic Conductors

description: Advanced health informatics is a grand challenge for 21st century medicine. The aim is to develop devices to enhance personalised healthcare. Part of such devices is selecting materials that can interface between biology and computers, i.e. bioelectronics. One promising material is the skin pigment melanin, since it is bio-compatible and sustains electrical current. Recently we performed a series of electrical measurements on melanin that apparently confirms the dominance of redox chemistry in driving its electrical current. However, we need to confirm our observations with an independent technique. Muon spin resonance provides the ideal alternative. The key objective is to obtain (as a function of hydration, chemical energy and temperature) muon relaxation rate behaviour and correlate it to our result. This should then open the muSR technique to a new user base in bioelectronics.
DOI: 10.5286/isis.e.rb1900145-1
title: A Multiparameter muSR Study for Bioelectronic Conductors

description: Advanced health informatics is a grand challenge for 21st century medicine. The aim is to develop devices to enhance personalised healthcare. Part of such devices is selecting materials that can interface between biology and computers, i.e. bioelectronics. One promising material is the skin pigment melanin, since it is bio-compatible and sustains electrical current. Recently we performed a series of electrical measurements on melanin that apparently confirms the dominance of redox chemistry in driving its electrical current. However, we need to confirm our observations with an independent technique. Muon spin resonance provides the ideal alternative. The key objective is to obtain (as a function of hydration, chemical energy and temperature) muon relaxation rate behaviour and correlate it to our result. This should then open the muSR technique to a new user base in bioelectronics.
DOI: 10.5286/isis.e.rb1910072
title: How does tendency to adopt different secondary structures from antimicrobial lipopeptides affect their membrane binding?

description: This work aims to exploit the unique capability of neutron reflection to examine how 2 antimicrobial lipopeptides that tend to adopt different secondary structures bind to model lipid membranes. Such structural features are sparsely available but are crucial to understanding how different antimicrobial peptides kill different microorganisms through membrane disruptions. Neutron reflection is about the only technique that can unravel the structural features that help us to distinguish the two antimicrobial peptides and link such structural information to antimicrobial behaviour. We request 4 days on Surf to complete this work.
DOI: 10.5286/isis.e.rb1910072-1
title: How does tendency to adopt different secondary structures from antimicrobial lipopeptides affect their membrane binding?

description: This work aims to exploit the unique capability of neutron reflection to examine how 2 antimicrobial lipopeptides that tend to adopt different secondary structures bind to model lipid membranes. Such structural features are sparsely available but are crucial to understanding how different antimicrobial peptides kill different microorganisms through membrane disruptions. Neutron reflection is about the only technique that can unravel the structural features that help us to distinguish the two antimicrobial peptides and link such structural information to antimicrobial behaviour. We request 4 days on Surf to complete this work.
DOI: 10.25606/surf.578c6039-11df1ae2
title: The Cosmogrid Simulation: Statistical Properties of Small Dark Matter Halos (1024-078)

description: We present the results of the "Cosmogrid" cosmological N-body simulation suites based on the concordance LCDM model. The Cosmogrid simulation was performed in a 30 Mpc box with 2048³ particles. The mass of each particle is 1.28x10^5 Msun, which is sufficient to resolve ultra-faint dwarfs. We found that the halo mass function shows good agreement with the Sheth & Tormen fitting function down to ~10^7 Msun. We have analyzed the spherically averaged density profiles of the three most massive halos which are of galaxy group size and contain at least 170 million particles. The slopes of these density profiles become shallower than -1 at the inner most radius. We also find a clear correlation of halo concentration with mass. The mass dependence of the concentration parameter cannot be expressed by a single power law, however a simple model based on the Press-Schechter theory proposed by Navarro et al. gives reasonable agreement with this dependence. The spin parameter does not show a correlation with the halo mass. The probability distribution functions for both concentration and spin are well fitted by the log-normal distribution for halos with the masses larger than ~10^8 Msun. The subhalo abundance depends on the halo mass. Galaxy-sized halos have 50% more subhalos than ~10^11 Msun halos have. This is snapshot 078 of the 1024³ resolution collection.
DOI: 10.25606/surf.578c6039-5636fc5d
title: The Cosmogrid Simulation: Statistical Properties of Small Dark Matter Halos (1024-070)

description: We present the results of the "Cosmogrid" cosmological N-body simulation suites based on the concordance LCDM model. The Cosmogrid simulation was performed in a 30 Mpc box with 2048³ particles. The mass of each particle is 1.28x10^5 Msun, which is sufficient to resolve ultra-faint dwarfs. We found that the halo mass function shows good agreement with the Sheth & Tormen fitting function down to ~10^7 Msun. We have analyzed the spherically averaged density profiles of the three most massive halos which are of galaxy group size and contain at least 170 million particles. The slopes of these density profiles become shallower than -1 at the inner most radius. We also find a clear correlation of halo concentration with mass. The mass dependence of the concentration parameter cannot be expressed by a single power law, however a simple model based on the Press-Schechter theory proposed by Navarro et al. gives reasonable agreement with this dependence. The spin parameter does not show a correlation with the halo mass. The probability distribution functions for both concentration and spin are well fitted by the log-normal distribution for halos with the masses larger than ~10^8 Msun. The subhalo abundance depends on the halo mass. Galaxy-sized halos have 50% more subhalos than ~10^11 Msun halos have. This is snapshot 070 of the 1024³ resolution collection.
DOI: 10.25606/surf.578c6039-653d7163
title: The Cosmogrid Simulation: Statistical Properties of Small Dark Matter Halos (1024-080)

description: We present the results of the "Cosmogrid" cosmological N-body simulation suites based on the concordance LCDM model. The Cosmogrid simulation was performed in a 30 Mpc box with 2048³ particles. The mass of each particle is 1.28x10^5 Msun, which is sufficient to resolve ultra-faint dwarfs. We found that the halo mass function shows good agreement with the Sheth & Tormen fitting function down to ~10^7 Msun. We have analyzed the spherically averaged density profiles of the three most massive halos which are of galaxy group size and contain at least 170 million particles. The slopes of these density profiles become shallower than -1 at the inner most radius. We also find a clear correlation of halo concentration with mass. The mass dependence of the concentration parameter cannot be expressed by a single power law, however a simple model based on the Press-Schechter theory proposed by Navarro et al. gives reasonable agreement with this dependence. The spin parameter does not show a correlation with the halo mass. The probability distribution functions for both concentration and spin are well fitted by the log-normal distribution for halos with the masses larger than ~10^8 Msun. The subhalo abundance depends on the halo mass. Galaxy-sized halos have 50% more subhalos than ~10^11 Msun halos have. This is snapshot 080 of the 1024³ resolution collection.
DOI: 10.25606/surf.578c6039-c8fd380d
title: The Cosmogrid Simulation: Statistical Properties of Small Dark Matter Halos (1024-071)

description: We present the results of the "Cosmogrid" cosmological N-body simulation suites based on the concordance LCDM model. The Cosmogrid simulation was performed in a 30 Mpc box with 2048³ particles. The mass of each particle is 1.28x10^5 Msun, which is sufficient to resolve ultra-faint dwarfs. We found that the halo mass function shows good agreement with the Sheth & Tormen fitting function down to ~10^7 Msun. We have analyzed the spherically averaged density profiles of the three most massive halos which are of galaxy group size and contain at least 170 million particles. The slopes of these density profiles become shallower than -1 at the inner most radius. We also find a clear correlation of halo concentration with mass. The mass dependence of the concentration parameter cannot be expressed by a single power law, however a simple model based on the Press-Schechter theory proposed by Navarro et al. gives reasonable agreement with this dependence. The spin parameter does not show a correlation with the halo mass. The probability distribution functions for both concentration and spin are well fitted by the log-normal distribution for halos with the masses larger than ~10^8 Msun. The subhalo abundance depends on the halo mass. Galaxy-sized halos have 50% more subhalos than ~10^11 Msun halos have. This is snapshot 071 of the 1024³ resolution collection.
DOI: 10.25606/surf.578c6039-cc872d96
title: The Cosmogrid Simulation: Statistical Properties of Small Dark Matter Halos (1024-075)

description: We present the results of the "Cosmogrid" cosmological N-body simulation suites based on the concordance LCDM model. The Cosmogrid simulation was performed in a 30 Mpc box with 2048³ particles. The mass of each particle is 1.28x10^5 Msun, which is sufficient to resolve ultra-faint dwarfs. We found that the halo mass function shows good agreement with the Sheth & Tormen fitting function down to ~10^7 Msun. We have analyzed the spherically averaged density profiles of the three most massive halos which are of galaxy group size and contain at least 170 million particles. The slopes of these density profiles become shallower than -1 at the inner most radius. We also find a clear correlation of halo concentration with mass. The mass dependence of the concentration parameter cannot be expressed by a single power law, however a simple model based on the Press-Schechter theory proposed by Navarro et al. gives reasonable agreement with this dependence. The spin parameter does not show a correlation with the halo mass. The probability distribution functions for both concentration and spin are well fitted by the log-normal distribution for halos with the masses larger than ~10^8 Msun. The subhalo abundance depends on the halo mass. Galaxy-sized halos have 50% more subhalos than ~10^11 Msun halos have. This is snapshot 075 of the 1024³ resolution collection.
DOI: 10.5281/zenodo.2628236
title: Formation of Tungsten Oxide Nanowires by Electron-Beam-Enhanced Oxidation of WS2 Nanotubes and Platelets_experimental dataset

description: This dataset contains the raw underlying data for the paper "Formation of Tungsten Oxide Nanowires by Electron-Beam-Enhanced Oxidation of WS<sub>2</sub> Nanotubes and Platelets" available in open acess under DOI 10.5281/zenodo.2628233. The archive contains sub-folders corresponding to figures as they appear in the paper.
DOI: 10.5281/zenodo.2628237
title: Formation of Tungsten Oxide Nanowires by Electron-Beam-Enhanced Oxidation of WS2 Nanotubes and Platelets_experimental dataset

description: This dataset contains the raw underlying data for the paper "Formation of Tungsten Oxide Nanowires by Electron-Beam-Enhanced Oxidation of WS<sub>2</sub> Nanotubes and Platelets" available in open acess under DOI 10.5281/zenodo.2628233. The archive contains sub-folders corresponding to figures as they appear in the paper.