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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Noncovalent Surface Modification of Metal–Organic Frameworks: Unscrambling Adsorption Properties via Isothermal Titration Calorimetry

Despite the importance of noncovalent interactions in the utilization of metal–organic frameworks (MOFs), using these interactions to functionalize MOFs has rarely been explored. The ease of functionalization and potential for surface-selective functionalization makes modification via noncovalent interactions promising for the creation of porous photocatalytic assemblies. Here, using isothermal titration calorimetry, photoluminescence measurements, and desorption experiments, we have explored the nature and magnitude of the interactions of [Ru(bpy) 2 (bpy-R)] 2+ -functionalized dyes with the surface of MIL-96, where R = C 3 , C 8 , C 12 , and C 18 alkyl chains of either straight-chain or cyclic conformations. The orientation of the dyes appears to be flat against the surface with respect to the long alkyl chains, and the surface concentration approaches a monolayer at high initial concentrations of dye. Strangely, the dodecyl-functionalized dye, despite having a smaller interaction energy and larger footprint than either octyl-functionalized dye, achieves the highest maximum surface concentration. Based on photoluminescence spectra, desorption experiments, and ITC data, we believe this is due to the core of the dye being lifted from the surface as the chain length increases. Our understanding of these interactions is important for further utilization of this method for the functionalization of the internal and external surface areas of MOFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Size-Dependent Adsorption and Adhesion Energetics of Ag Nanoparticles on Graphene Films on Ni(111) by Calorimetry

Interest in the use of carbon supports for late transition metal nanoparticle catalysts has expanded rapidly due to the increasing importance of electrocatalysts for clean energy and environmental technologies and the use and storage of renewable electricity. Compared to oxide supports, almost nothing is known about the effect of metal nanoparticle size on the energies of the metal atoms within carbon-supported nanoparticles, yet these energies are crucial for understanding their surface reactivity and sintering kinetics. Here, the growth morphology and adsorption energetics of vapor-deposited Ag onto clean graphene/Ni(111) surfaces have been studied using a combination of single-crystal adsorption calorimetry (SCAC) and He + low-energy ion scattering (LEIS). The differential heat of Ag adsorption is 207 kJ/mol for making ~30 atom Ag particles on graphene terraces at 100 K and 16 kJ/mol higher for making ~9 atom Ag clusters at defect sites at the same temperature. The heat of adsorption increases rapidly with Ag coverage as 3D Ag nanoparticles nucleate and grow in size, asymptotically reaching within 5 kJ/mol of the bulk Ag sublimation enthalpy (285 kJ/mol) by 2 ML. The heats of adsorption and Ag nanoparticle densities from LEIS (~10 16 /m 2 ) were combined to provide the Ag/graphene adhesion energy (E adh = 1.8 J/m 2 in the large-particle limit) and the Ag chemical potential (μ) versus effective particle diameter (D). The Ag chemical potential was well-fitted by μ(D) = (3γ v /M – E adh )(1 + (1.5 nm)/D)(2V m /D), where γ v /M is the surface energy of bulk Ag and V m is its molar volume. The same equation is known to fit similar data for late transition metals on clean surfaces of metal oxide single crystals. The adhesion energy of Ag measured here on graphene falls within the wide range measured for Ag on those oxide surfaces and is almost as large as on the oxide that binds Ag particles most strongly, namely CeO 2 (111), which is well-known to be very effective at resisting catalyst deactivation by metal sintering. Furthermore, these results imply that carbon supports will be effective at resisting sintering and that Ag particles smaller than 6 nm on graphene will bind small adsorbed reaction intermediates more weakly than supports with weaker adhesion to Ag, like MgO(100).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Reactivity, Formation, and Solubility of Polyoxometalates Probed by Calorimetry

Room temperature calorimetry methods were developed to describe the energy landscapes of six polyoxometalates (POMs), Li–U 24 , Li–U 28 , K–U 28 , Li/K–U 60 , Mo 132 , and Mo 154 , in terms of three components: enthalpy of dissolution (ΔH diss ), enthalpy of formation of aqueous POMs (ΔH f,(aq) ), and enthalpy of formation of POM crystals (ΔH f,(c) ). ΔH diss is controlled by a combination of cation solvation enthalpy and the favorability of cation interactions with binding sites on the POM. In the case of the four uranyl peroxide POMs studied, clusters with hydroxide bridges have lower ΔH f,(aq) and are more stable than those containing only peroxide bridges. Here, in general for POMs, the combination of calorimetric results and synthetic observations suggest that spherical topologies may be more stable than wheel-like clusters, and ΔH f,(aq) can be accurately estimated using only ΔH f,(c) values owing to the dominance of the clusters in determining the energetics of POM crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Blood Serum Calorimetry Indicates the Chemotherapeutic Efficacy in Lung Cancer Treatment

Chemotherapy is a primary treatment for the metastatic lung cancer patients. To select the most effective combination of drugs, we need an efficient way of assessing tumor response. Here, we showed that differential scanning calorimetry (DSC) analysis of blood serum proteins could reveal the patient response to the treatment. If chemotherapy is effective, serum proteins DSC curve of non-small cellular lung cancer (NSCLC) case is similar to the those of the healthy individuals. If treatment fails, notable changes occur in the DSC profile of NSCLC patient’s blood serum. Our preliminary work illustrates how thermal analysis of changes in the heat capacity of blood serum proteins can provide an insight into patient response to chemotherapy – the essential information for any successive lung cancer treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Development of High-Granularity Dual-Readout Calorimetry with psec Timing

Dual-readout and particle flow algorithm (PFA) are technologies proposed for precise jet energy measurement in future colliders. While PFA requires highly granular calorimeters, dual-readout has mainly been used with fiber-based calorimeters that do not have highly segmented capabilities. It is still non-trivial to combine these two technologies in one calorimeter system because of the use of fibers in most of the dualreadout calorimeters, which is not compatible with the high granularity requirement of PFA technologies. The aim of this study is to develop a novel calorimetry that combines dual-readout and PFA by adopting a highly segmented tile-based configuration. This paper compares the improvement of energy resolution using dual-readout approach across several configurations of highly granular hadron calorimeters through simulation. Results indicate that setups with fine sampling and close placement of scintillators and Cherenkov detectors improve dual-readout performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Enhancement and maximum in the isobaric specific-heat capacity measurements of deeply supercooled water using ultrafast calorimetry

Knowledge of the temperature dependence of the isobaric specific heat (C p ) upon deep supercooling can give insights regarding the anomalous properties of water. If a maximum in C p exists at a specific temperature, as in the isothermal compressibility, it would further validate the liquid–liquid critical point model that can explain the anomalous increase in thermodynamic response functions. The challenge is that the relevant temperature range falls in the region where ice crystallization becomes rapid, which has previously excluded experiments. Here, we have utilized a methodology of ultrafast calorimetry by determining the temperature jump from femtosecond X-ray pulses after heating with an infrared laser pulse and with a sufficiently long time delay between the pulses to allow measurements at constant pressure. Evaporative cooling of ~15-µm diameter droplets in vacuum enabled us to reach a temperature down to ~228 K with a small fraction of the droplets remaining unfrozen. We observed a sharp increase in C p , from 88 J/mol/K at 244 K to about 218 J/mol/K at 229 K where a maximum is seen. The C p maximum is at a similar temperature as the maxima of the isothermal compressibility and correlation length. From the C p measurement, we estimated the excess entropy and self-diffusion coefficient of water and these properties decrease rapidly below 235 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Liquid scintillator tiles for calorimetry

Future experiments in high energy and nuclear physics may require large, inexpensive calorimeters that can continue to operate after receiving doses of 50 Mrad or more. Also, the light output of liquid scintillators suffers little degradation under irradiation. However, many challenges exist before liquids can be used in sampling calorimetry, especially regarding developing a packaging that has sufficient efficiency and uniformity of light collection, as well as suitable mechanical properties. We present the results of a study of a scintillator tile based on the EJ-309 liquid scintillator using cosmic rays and test beam on the light collection efficiency and uniformity, and some preliminary results on radiation hardness.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Dual-readout calorimetry

In the past 20 years, dual-readout calorimetry has emerged as a technique for measuring the properties of high-energy hadrons and hadron jets that offers considerable advantages compared with the instruments that are currently used for this purpose in experiments at the high-energy frontier. The status of this experimental technique and the challenges faced for its further development are reviewed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Thermodynamics of gallium-stabilized delta-plutonium: A high-temperature drop calorimetry study

Throughout the Cold War (1947–1991), both the United States and the former Soviet Union independently derived a phase diagram for the Pu-Ga system that has different implications on Pu phase stability. In the phase diagram produced by the United States, the Pu δ-phase is thermodynamically stable at room temperatures when Ga content is between 2 and 9 at. %. The diagram produced by the Soviet Union shows the δ-phase undergoing an eutectoid decomposition into the α-Pu + α-Pu 3 Ga at 7.9 at. % Ga and 370 K. This would suggest that Ga-stabilized δ-Pu is metastable with respect to α-Pu + α-Pu 3 Ga at 298 K. To investigate this, and the thermodynamic behavior of Ga in the FCC lattice of δ-Pu, we have utilized high-temperature drop calorimetry to study the enthalpy of formation of two δ-Pu 1−x Ga x compositions. In doing so, mixing models (regular and subregular) were developed to understand the thermodynamic behavior of Ga in the FCC lattice of δ-Pu and found a strong departure from ideal conditions, which suggests Ga ordering in the FCC lattice of δ-Pu. Overall, it was found that δ-Pu 1−x Ga x is enthalpically metastable with respect to α-Pu + Pu 3 Ga at 298 K.

36 MATERIALS SCIENCE↗
DOE OSTI2014

SU-E-T-410: Fringe Stability and Phase Shift Measurements in a Michelson Interferometer for Optical Calorimetry

Purpose: To identify the variables limiting the resolution of a Michelson interferometer used to measure phase shifts (PS) in water as part of a radiometric calorimeter. Methods: We investigated the output stability of a He-Ne laser and a laser diode. The short and long term stability of the fringe pattern in a Michelson interferometer was tested with different types of lasers, thermal insulation arrangements, damping systems and optical mounts to optimize system performance. PS were induced by electrically heating water in a 1 cm quartz cuvette located in one of the interferometer arms. The PS was calculated from fringe intensity changes and compared to a calculated PS using thermocouple-measured temperature changes in the water. Results: The intensity of the laser diode is more stable, but the gas laser’s profile is more suitable for fringe analysis and has better temporal coherence. The laser requires a warm-up time of 4 hours before its output is stabilized (SNR>95). The fringe’s stability strongly depends on the thermal insulation. When the interferometer is exposed to ambient temperature swings of 0.7 K, it is not possible to stabilize the fringe pattern. Enclosing the system in a 2.5 cm-thick Styrofoam box improves the SNR, but further insulation will be needed to increase the SNR above 50. High frequency noise is significantly reduced by damping the system.Inducing a temperature rise in water, starting at 299 K, the average temperature increase for a 2π PS is 0.29 ± 0.02 K and the proportionality constant is -21.1 ± 0.8 radians/K. This is 5.8% lower than the calculated value using the thermocouple. Conclusion: Interferometric PS measurements of temperature may provide an alternative to thermistors for water calorimetry. The resolution of the current prototype is limited by ambient temperature stability. Calculated and measured thermally-induced PS in water agreed to within 5.8%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Scintillating glass for precision calorimetry in nuclear physics

High-performance scintillator materials are needed for particle identification and measurements of energy and momentum of electromagnetic particles in modern nuclear physics experiments. As an example, the US Electron-Ion Collider, a unique collider with diverse physics topics, requires electromagnetic calorimetry enabling high-quality electron identification and detection in the momentum range of 0.3 to tens of GeV. The highest resolution in electromagnetic calorimeters can be provided by homogeneous materials, e.g., lead tungstate crystals. Inorganic glass scintillators have been investigated as an attractive and cost-effective alternative to crystals, that is also easier and faster to manufacture in mass production. In this paper, we discuss progress in the fabrication and characterization of recent scintillating glass samples on both test bench and beam tests. Further, the results are well-reproduced by simulation and are discussed in the context of the Electron-Ion Collider experimental requirements and bench-marked against lead tungstate crystals.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Unveiling the Thermal Stability of Sodium Ion Pouch Cells Using Accelerating Rate Calorimetry

The thermal stability of ~420 mAh Na 0.97 Ca 0.03 [Mn 0.39 Fe 0.31 Ni 0.22 Zn 0.08 ]O 2 (NCMFNZO)/hard carbon (HC) pouch cells was investigated using accelerating rate calorimetry (ARC) at elevated temperatures. 1 m NaPF 6 in propylene carbonate (PC):ethyl methyl carbonate (EMC) (1:1 by volume) was used as a control electrolyte. Adding 2 wt% fluoroethylene carbonate to the electrolyte improves the cell's thermal stability by decreasing the self-heating rate (SHR) across the whole testing temperature range. The selected states-of-charge (SoC), including 70%, 84%, and 100%, exhibit minimal impact on the exothermic behavior, except for a slight decrease in SHR after ~275 °C at 70% SoC. When compared to traditional lithium-ion batteries operating at 100% SoC, NCMFNZO/HC pouch cells demonstrate inferior thermal stability compared to LiFePO 4 (LFP)/graphite pouch cells, displaying a higher SHR from 220 to 300 °C. LiNi 0.8 Mn 0.1 Co 0.1 O 2 /graphite + SiO x pouch cells exhibit the worst safety performance, with an early onset temperature of ~100 °C and the highest SHR across the entire temperature range. These results offer a direct comparison of the impact of SoC and electrolyte compositions on the thermal stability of SIBs at elevated temperatures, highlighting that there is still room for improvement in SIBs safety performance compared to LFP/graphite chemistry.

42 ENGINEERING↗
DOE OSTI2016

HDTHe calorimetry v.1.0

The software generates predicted results of differential scanning calorimetry experiments for samples of palladium in a perforated capsule in an atmosphere containing a mixture of hydrogen isotopologues and helium. It can also be used to predict the results of absorption-desorption experiments at constant temperature and solid-phase isotopic ratio.

Robinson, DavidB.↗
DOE OSTI2014

Detection of Cervical Cancer Biomarker Patterns in Blood Plasma and Urine by Differential Scanning Calorimetry and Mass Spectrometry

Improved methods for the accurate identification of both the presence and severity of cervical intraepithelial neoplasia (CIN) and extent of spread of invasive carcinomas of the cervix (IC) are needed. Differential scanning calorimetry (DSC) has recently been shown to detect specific changes in the thermal behavior of blood plasma proteins in several diseases. This methodology is being explored to provide a complementary approach for screening of cervical disease. The present study evaluated the utility of DSC in differentiating between healthy controls, increasing severity of CIN and early and advanced IC. Significant discrimination was apparent relative to the extent of disease with no clear effect of demographic factors such as age, ethnicity, smoking status and parity. Of most clinical relevance, there was strong differentiation of CIN from healthy controls and IC, and amongst patients with IC between FIGO Stage I and advanced cancer. The observed disease-specific changes in DSC profiles (thermograms) were hypothesized to reflect differential expression of disease biomarkers that subsequently bound to and affected the thermal behavior of the most abundant plasma proteins. The effect of interacting biomarkers can be inferred from the modulation of thermograms but cannot be directly identified by DSC. To investigate the nature of the proposed interactions, mass spectrometry (MS) analyses were employed. Quantitative assessment of the low molecular weight protein fragments of plasma and urine samples revealed a small list of peptides whose abundance was correlated with the extent of cervical disease, with the most striking plasma peptidome data supporting the interactome theory of peptide portioning to abundant plasma proteins. The combined DSC and MS approach in this study was successful in identifying unique biomarker signatures for cervical cancer and demonstrated the utility of DSC plasma profiles as a complementary diagnostic tool to evaluate cervical cancer health.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Neutron-Enhanced Calorimetry for Hadrons (Nech): Final Report

We present the results of a project to apply scintillator technology recently developed at Louisiana Tech University to hadronic calorimetry. In particular, we developed a prototype calorimeter module incorporating scintillator embedded with metal oxide nanoparticles as the active layers. These metal oxide nanoparticles of gadolinium oxide, have high cross-sections for interactions with slow neutrons. As a part of this research project, we have developed a novel method for producing plastic scintillators with metal oxide nanoparticles evenly distributed through the plastic without aggregation. We will test the performance of the calorimeter module in test beam and with a neutron source, in order to measure the response to the neutron component of hadronic showers. We will supplement our detector prototyping activities with detailed studies of the effect of neutron component on the resolution of hadronic energy measurements, particular in the next generation of particle flow calorimeters.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

The oxidation of aluminum at high temperature studied by Thermogravimetric Analysis and Differential Scanning Calorimetry.

The oxidation in air of high-purity Al foil was studied as a function of temperature using Thermogravimetric Analysis with Differential Scanning Calorimetry (TGA/DSC). The rate and/or extent of oxidation was found to be a non-linear function of the temperature. Between 650 and 750 ÀC very little oxidation took place; at 850 ÀC oxidation occurred after an induction period, while at 950 ÀC oxidation occurred without an induction period. At oxidation temperatures between 1050 and 1150 ÀC rapid passivation of the surface of the aluminum foil occurred, while at 1250 ÀC and above, an initial rapid mass increase was observed, followed by a more gradual increase in mass. The initial rapid increase was accompanied by a significant exotherm. Cross-sections of oxidized specimens were characterized by scanning electron microscopy (SEM); the observed alumina skin thicknesses correlated qualitatively with the observed mass increases.

Coker, Eric Nicholas↗
DOE OSTI2013

Dual-Readout Calorimetry for High-Quality Energy Measurements (Final Report)

This document constitutes the final report on the project Dual-Readout Calorimetry for High-Quality Energy Measurements. The project was carried out by a consortium of US and Italian physicists, led by Dr. Richard Wigmans (Texas tech University). This consortium built several particle detectors and tested these at the European Center for Nuclear Research (CERN) in Geneva, Switzerland. The idea arose to use scintillating crystals as dual-readout calorimeters. Such crystals were of course already known to provide excellent energy resolution for the detection of particles developing electromagnetic (em) showers. The efforts to separate the signals from scintillating crystals into scintillation and Cerenkov components led to four different methods by which this could be accomplished. These methods are based on a) the directionality, b) spectral differences, c) the time structure, and d) the polarization of the signals.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Recent Work on Calorimetry at LANL

This report is a briefing to collaborators at the Swedish Nuclear Fuel and Waste Management Company, Oskarshamn, Sweden, January 14, 2014. It describes the way in which calorimetry supports the safegurard mission.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗