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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Neutron heating assessment in Minerve reactor by using alanine/ESR dosimetry

In the framework of the ICERR (International Center based on Research Reactors) project, the effect of neutron/gamma irradiation on material and dosimeters has been studied. In this work, we explore the alanine dose-response in the core of the MINERVE research reactor at the CEA Cadarache and we investigate the neutron heating effects in order to evaluate alanine neutron sensitivity. The measured dose of the alanine detector in the mixed gamma-neutron field was estimated by electron spin resonance spectrometry (ESR) with reference to an absorbed dose in water from a 60 Co gamma-ray beam. The experimental sources of uncertainties were reduced by using the optimum conditions of charged-particle equilibrium (CPE), obtained by introducing alanine dosimeters into the aluminum pillbox. Cavity correction factors and dose components were evaluated by the Monte Carlo code MCNP. The calculation showed an underestimated neutron dose with a (C/E) value of about 0.993 +/- 10.83%(k = 1). Results indicate that the fast neutron dose, mainly due to elastic neutron scattering on hydrogen nuclei, represents about 70% of the total dose, while the gamma dose was found to be around 45% of the neutron dose. Additionally, the neutron relative efficiency (REn) to 60 Co gamma-radiation was estimated to be 0.544 +/- 8%(k = 1).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Targeted metagenomic assessment reflects critical colonization in battlefield injuries

Current diagnostics and clinical management strategies for combat wounds are based on decisions made by expert clinicians. However, even in the hands of experienced surgeons, wounds from combat injuries can exhibit failed healing and complications related to limitations in the rapid and comprehensive generation of diagnostic information. Previous studies have demonstrated the possible use of genomic sequencing approaches to detect microbial signatures involved in combat casualty care. While effective, whole metagenome sequencing is limited by the depth required to confidently detect all relevant signatures. To address this, we developed a targeted capture sequencing panel to detect microbial signatures relevant to wound healing. These targets include known microbial nosocomial pathogens, wound colonizers, and genes involved in virulence and antimicrobial resistance. A bioinformatics pipeline was built to identify genomic regions of interest and over 8,000 oligonucleotide probes were designed for capture. The panel was synthesized and validated using control reference genomes in human background and on wound-effluent samples from a cohort of combat-injured U.S. service members. Our panel was sensitive against wound-colonizing species, Acinetobacter baumannii and Pseudomonas aeruginosa, and was specific in detecting corresponding virulence and antimicrobial-resistance genes as well as other pathogenic species present in microflora mixtures. Random forest feature permutation confirmed the prevalence of Acinetobacter and Pseudomonas in critically colonized wounds and wounds that failed to heal, respectively. Our results demonstrate the capability of targeted sequencing tools and analysis platforms to profile and deliver information on pathogenic factors influencing wound progression, thereby guiding therapeutic intervention.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Future Circular Collider Feasibility Study Report

Volume 3 of the FCC Feasibility Report presents studies related to civil engineering, the development of a project implementation scenario, and environmental and sustainability aspects. The report details the iterative improvements made to the civil engineering concepts since 2018, taking into account subsurface conditions, accelerator and experiment requirements, and territorial considerations. It outlines a technically feasible and economically viable civil engineering configuration that serves as the baseline for detailed subsurface investigations, construction design, cost estimation, and project implementation planning. Additionally, the report highlights ongoing subsurface investigations in key areas to support the development of an improved 3D subsurface model of the region. The report describes the development of the project scenario based on the ‘avoid-reduce-compensate’ iterative optimisation approach. The reference scenario balances optimal physics performance with territorial compatibility, implementation risks, and costs. Environmental field investigations covering almost 600 hectares of terrain—including numerous urban, economic, social, and technical aspects—confirmed the project’s technical feasibility and contributed to the preparation of essential input documents for the formal project authorisation phase. The summary also highlights the initiation of public dialogue as part of the authorisation process. The results of a comprehensive socio-economic impact assessment, which included significant environmental effects, are presented. Even under the most conservative and stringent conditions, a positive benefit-cost ratio for the FCC-ee is obtained. Finally, the report provides a summary of the studies conducted to document the current state of the environment.

Benedikt, M. [European Organization for Nuclear Re↗
DOE OSTI2021

Metadata Schemas and Ontologies for Building Energy Applications: A Critical Review and Use Case Analysis

With the increasing digitalization of processes throughout the lifecycle of buildings, data exchanged between stakeholders and between building systems has grown significantly. However, a lack of semantic interoperability between data in different systems is still prevalent, hindering the development of applications that can be reused across buildings and limiting the scalability of innovative solutions. Semantics refers to the description of the meaning of the data in a way that can be consistently understood by applications. Recently, several competing initiatives have been developing metadata schemas and ontologies to express this semantic information for different applications in the building domain. This paper systematically reviews these schemas and conducts an analysis of five of them to evaluate their applicability to three high-value use cases for building operations: energy audits, automated fault detection and diagnostics and optimal control. The survey finds 40 schemas published in the last 10 years but but their actual use in industry is difficult to estimate. Among the five selected ontologies, several gaps are highlighted in relation to the three use cases. Recommendations for the future include better harmonization of these initiatives, more centralized repositories and search engines for these schemas as well as better industry engagement to facilitate their adoption.

Smart Building, Sematic, Metadata, Ontology, Data ↗
DOE OSTI2021

Gaussian Kernel Methods for Seismic Fragility and Risk Assessment of Mid-Rise Buildings

Seismic fragility functions can be evaluated using the cloud analysis method with linear regression which makes three fundamental assumptions about the relation between structural response and seismic intensity: log-linear median relationship, constant standard deviation, and Gaussian distributed errors. While cloud analysis with linear regression is a popular method, the degree to which these individual and compounded assumptions affect the fragility and the risk of mid-rise buildings needs to be systematically studied. This paper conducts such a study considering three building archetypes that make up a bulk of the building stock: RC moment frame, steel moment frame, and wood shear wall. Gaussian kernel methods are employed to capture the data-driven variations in the median structural response and standard deviation and the distributions of residuals with the intensity level. With reference to the Gaussian kernels approach, it is found that while the linear regression assumptions may not affect the fragility functions of lower damage states, this conclusion does not hold for the higher damage states (such as the Complete state). In addition, the effects of linear regression assumptions on the seismic risk are evaluated. For predicting the demand hazard, it is found that the linear regression assumptions can impact the computed risk for larger structural response values. However, for predicting the loss hazard with downtime as the decision variable, linear regression can be considered adequate for all practical purposes.

58 GEOSCIENCES↗
DOE OSTI2020

Imaging Based Detector with Efficient Scintillators for Neutron Diffraction Measurements

The Anger Camera developed by the detector group at the Oak Ridge National Laboratory was utilized for the present work for its unique advantage of employing multiple modules to obtain large active measurement area for detecting diffracted/scattered thermal neutrons. Considering the relatively small flux associated with diffracted/scattered neutrons, suitable efficiency with high spatial resolution is a requirement for utilizing two-dimensional imaging detectors. The potential to implement pulse shape (in addition to pulse height) discrimination-based scintillators further enhances the ability to detect diffracted neutrons with improved signal to noise ratio. In this paper, initial results associated with 6Li glass-based scintillator will be presented. The authors explored the feasibility of using this system to detect and quantify diffraction peaks and peak shifts at the Neutron Residual Stress Facility (NRSF2), High Flux Isotope Reactor (HFIR) in the Oak Ridge National Laboratory (ORNL). Suitable camera mounting and shielding had to be developed. Reference measurements using polycrystalline powders with known atomic planar spacing will be discussed along with measurement settings associated with expected resolution for peak shift measurements. Initial results are promising and demonstrate that a suitable scintillation-based neutron detecting system is viable for residual stress-based diffraction measurements. Small area detectors are also feasible with suitable consideration to scattering volume and distance to detector.

Seals, Matthew↗
DOE OSTI2025

Significant Efficiency Enhancements in Non‐Y Series Acceptors by the Addition of Outer Side Chains

Abstract Most current highly efficient organic solar cells utilize small molecules like Y6 and its derivatives as electron acceptors in the photoactive layer. In this work, a small molecule acceptor, SC8‐IT4F, is developed through outer side chain engineering on the terminal thiophene of a conjugated 6,12‐dihydro‐dithienoindeno[2,3‐d:2′,3′‐d′]‐s‐indaceno[1,2‐b:5,6‐b′]dithiophene (IDTT) central core. Compared to the reference molecule C8‐IT4F, which lacks outer side chains, SC8‐IT4F displays notable differences in molecule geometry (as shown by simulations), thermal behavior, single‐crystal packing, and film morphology. Blend films of SC8‐IT4F and the polymer donor PM6 exhibit larger carrier mobilities, longer carrier lifetimes, and reduced recombination compared to C8‐IT4F, resulting in improved device performance. Binary photovoltaic devices based on the PM6:SC8‐IT4F films reveal an optimal efficiency over 15%, which is one of the best values for non‐Y type small molecule acceptors (SMAs). The resultant devices also show better thermal and operational stability than the control PM6:L8‐BO devices. SC8‐IT4F and its blend exhibit a higher relative degree of crystallinity and π coherence length, compared to C8‐IT4F samples, beneficial for charge transport and device performance. The results indicate that outer side chain engineering on existing small electron acceptors can be a promising molecular design strategy for further pursuing high‐performance organic solar cells.

He, Qiao [Department of Chemistry and Centre for P↗
DOE OSTI2023

A reference-area-free strain mapping method using precession electron diffraction data

Here, in this work, we developed a method using precession electron diffraction data to map the residual elastic strain at the nano-scale. The diffraction pattern of each pixel was first collected and denoised. Template matching was then applied using the center spot as the mask to identify the positions of the diffraction disks. Statistics of distances between the selected diffracted disks enable the user to make an informed decision on the reference and to generate strain maps. Strain mapping on an unstrained single crystal sapphire shows the standard deviation of strain measurement is 0.5%. With this method, we were able to successfully measure and map the residual elastic strain in VO 2 on sapphire and martensite in a Ni 50.3 Ti 29.7 Hf 20 shape memory alloy. This approach does not require the user to select a “strain-free area” as a reference and can work on datasets even with the crystals oriented away from zone axes. This method is expected to provide a robust and more accessible alternative means of studying the residual strain of various material systems that complements the existing algorithms for strain mapping.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

(U) LNK3DNT Capability in SENSMG Tested with Transport Correction

The SENSMG multigroup neutron sensitivity code can read materials and geometry from redoin and lnk3dnt files written by the PARTISN multigroup discrete ordinates code or the MCNP6 Monte Carlo code. Reference 5 described an initial version of this capability. Reference 6 introduced two important extensions: 1) Reaction-rate ratios are now allowed as responses with redoin/lnk3dnt inputs; and 2) Sensitivities of reaction-rate ratios to mass densities and interface locations are now calculated (for all problems, not just redoin/lnk3dnt problems). In this report, we document the testing of the redoin/lnk3dnt capability when used with transport correction. PARTISN’s transport corrections are described in Ref. 3, and Refs. 7 and 8 discuss the calculation of cross-section sensitivities when transport corrections are applied. References 7 and 8 verify SENSMG for problems with transport correction using central differences. This report verifies the capability with redoin/lnk3dnt inputs by comparison with regular SENSMG inputs. Unlike Refs. 5 and 6, in this report we use a spherical test problem because the sensitivity of the response with respect to the highest-order scattering is zero in cylinders due to the use of flux moments in the inner products.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Bridging the Gap Between Modern UX Design and Particle Accelerator Control Room Interfaces

Accelerator control systems often represent relatively complex and safety-sensitive human-machine interfaces within process control industries. These systems are technically robust and reflect the cumulative integration of solutions built and adapted across decades. One of the regular, unfortunate casualties of provisional accelerator control system updates is their human-system interfaces (HSIs) which often lag behind modern usability and design standards. An additional challenge is that although there is a multitude of established human factors (HF), and user experience (UX) principles for everyday digital applications, there are very few (if any) established principles for complex and safety-critical applications for an accelerator. This paper argues for the importance of established HF and UX principles (herein referred to as human-centered design principles) into the development of accelerator HSIs, emphasizing the need for clarity, consistency, responsiveness, and cognitive accessibility. Drawing from HF/UX best practices and human-centered design, this paper discusses how these approaches can enhance operator performance, reduce human error, and improve accelerator personnel collaboration. Case studies from Accelerator Control Operations Research Network (ACORN) at Fermilab are explored to demonstrate how interfaces built with human-centered design principles can scale with system complexity while remaining intuitive and efficient for diverse user roles including operators, machine experts, and engineers. By bridging the gap between traditional control system design and modern human-centered design methods, this paper provides a roadmap for evolving accelerator HSIs into more usable, maintainable, and effective tools.

Hill, Rachael [Idaho Natl. Lab.]↗
DOE OSTI2020

Design and Principles of Linear Accelerators and Colliders." in Particle Physics Reference Library, pp. 295-336. Springer, Cham, 2020.

Linear accelerators (linacs) use alternating radiofrequency (RF) electromagnetic fields to accelerate charged particles in a straight line. Linacs were invented about 95 years ago and have seen many significant technical innovations since. A wide range of particle beams have been accelerated with linacs including beams of electrons, positrons, protons, antiprotons, and heavy ions. Linac parameter possibilities include pulsed versus continuous wave, low and high beam powers, low and high repetition rates, low transverse emittance beams, short bunches with small energy spreads, and accelerated multiple bunches in a single pulse. The number of linacs around the world has grown tremendously with thousands of linacs in present use, many for medical therapy, in industry, and for research and development in a broad spectrum of scientific fields. Researchers have developed accelerators for scientific tools in their own right, being awarded several Nobel prizes. Moreover, linacs and particle accelerators in general have enabled many discovery level science experiments in related fields, resulting in many Nobel prizes as well.

Seeman, John↗
DOE OSTI2020

Fission Batteries: Definition, Key Attributes and Research and Development Needs

The term battery was first introduced by the American scientist and inventor Benjamin Franklin in 1749, followed by invention of the first true battery in 1800 by Alessandro Volta. Today, batteries are a ubiquitous source of portable electric power across different applications. Batteries are widely used across a range of scales from consumer products to grid-scale energy storage. There are different types of batteries, but they can be broadly classified as chemical or electric batteries [1], atomic batteries, nuclear batteries, tritium batteries or radioisotope generators [2, 3]. Atomic batteries, nuclear batteries, tritium batteries, and radioisotope generators have gained significant attention for applications requi-ing long-term power supply and high-power density, including the space power reactor [4]. While a number of reactor systems, particularly micro-reactors, are referred to as fission batteries, this paper defines key attributes required for a fission reactor to achieve capabilities comparable with the characteristics of batteries that enable their wide-spread use. Achieving this full vision of a fission battery will enable broad deployment of fission reactors that function like batteries. The research and development (R&D) activities needed to achieve the desired fission battery attributes are discussed below.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2021

Iterative self-organizing SCEne-LEvel sampling (ISOSCELES) for large-scale building extraction

Convolutional neural networks (CNN) provide state-of-the-art performance in many computer vision tasks, including those related to remote-sensing image analysis. Successfully training a CNN to generalize well to unseen data, however, requires training on samples that represent the full distribution of variation of both the target classes and their surrounding contexts. With remote sensing data, acquiring a sufficiently representative training set is a challenge due to both the inherent multi-modal variability of satellite or aerial imagery and the general high cost of labeling data. To address this challenge, we have developed ISOSCELES, an Iterative Self-Organizing SCEne LEvel Sampling method for hierarchical sampling of large image sets. Using affinity propagation, ISOSCELES automates the selection of highly representative training images. Compared to random sampling or using available reference data, the distribution of the training is principally data driven, reducing the chance of oversampling uninformative areas or undersampling informative ones. In comparison to manual sample selection by an analyst, ISOSCELES exploits descriptive features, spectral and/or textural, and eliminates human bias in sample selection. Using a hierarchical sampling approach, ISOSCELES can obtain a training set that reflects both between-scene variability, such as in viewing angle and time of day, and within-scene variability at the level of individual training samples. We verify the method by demonstrating its superiority to stratified random sampling in the challenging task of adapting a pre-trained model to a new image and spatial domain for country-scale building extraction. Using a pair of hand-labeled training sets comprising 1,987 sample image chips, a total of 496,000,000 individually labeled pixels, we show, across three distinct model architectures, an increase in accuracy, as measured by F1-score, of 2.2–4.2%.

42 ENGINEERING↗
DOE OSTI2022

Lattice dynamics of high-pressure hydrides studied by inelastic neutron scattering

Due to the small mass and anomalously large neutron scattering cross-section of proton (about 80 barns compared to a few barns for other nuclei), inelastic neutron scattering is considered as one of the most effective tools in studying optical vibrations of hydrogen atoms in metal hydrides. The current review is focused on the binary hydrides of 3d- and 4d-metals of groups VI–VIII, which were produced at high hydrogen pressures of several gigapascals in relatively large quantities of hundreds of mg, quenched to low temperature and studied by INS ex situ at ambient pressure with high statistical accuracy. One of the unusual effects revealed by INS is a strong increase in the strength of the metal-hydrogen interactions with decreasing atomic number of the d-metal accompanied by an increase in the Me-H distance. Based on the available experimental results, the spectra g(E) of the phonon density of states and temperature dependencies CV(T) of the heat capacity at constant volume at T up to 1000 K have been derived in this paper and presented both in the figures and in digital form. This provides the reference data for the theoretical investigations of the crystal structures and compositions of new practically important hydrides giving the opportunity to validate calculation methods by comparing the calculated g(E) and CV(T) with the accurate experimental dependencies for the binary hydrides. Recent INS studies showed [R.A. Klein et al., J. Alloy. Compd. 894 (2022) 162381] that the fingerprints of anomalously short H-H separations of 1.6 Å violating the “2 Å rule” can be easily and unambiguously identified in the complex INS spectra of quaternary hydrides (La,Ce)NiInH 1+x . This makes neutron spectroscopy an attractive means for obtaining valuable data in the search for novel hydrides with a record high hydrogen capacity.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Investigation of INL Site Implementation of ARG-US

The Packaging Certification and Life Cycle Management department at Argonne National Laboratory (ANL) developed a suite of monitoring systems collectively referred to here as ARG-US. ARG-US is used to provide necessary data for nuclear facility and system operation and maintenance. ARG-US has been previously demonstrated in hot cells, radioactive material (RAM) storage areas, and RAM shipment trucks. It has also been installed directly on RAM storage and shipment containers. ARG-US offers some unique advantages over other commercially available systems by using wireless data connections, battery power supplies, and customizable monitoring methods. Idaho National Laboratory (INL) has been tasked with investigating applications for ARG-US at INL site facilities, which are operated by several different contractors. The initial investigation scope centered on CPP-603 Wet & Dry Fuel Storage Facility in relation to the upcoming DOE Spent (SNF) Packaging Demonstration. The investigation has been led by the Used Fuel Management Department in the Nuclear Science and Technology Directorate. This investigation is expected to recommend processes or facilities at the INL site at which to implement ARG-US systems. INL has engaged local site technical and oversite representatives, security, nuclear safeguards, and program management to identify good candidates for ARG-US test implementations. INL has identified high-level goals for any INL site implementation of ARG-US: provide unique testing environments, prompt development of new monitoring methods/techniques for the ARG-US suite, and acquire useful monitoring for the user facility. To these ends, INL suggests 3 program areas for further investigation: CPP-603 Fuel Handling Cave (FHC), legacy mixed waste storage systems at Idaho Nuclear Technology & Engineering Center (INTEC) known as the “tank farm”, and periodic and emergency environmental monitoring. This progress report relates activities undertaken in this investigation, describes the preliminary areas of interest for limited scope ARG-US testing or implementation, and relays expected actions needed to complete the task scope. This report offers an opportunity to the program sponsor, technical leads at ANL, and INL site representatives to give feedback on the initial assessment and make recommendations on the forthcoming activities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Characterization of a Low-Temperature Plasma (LTP) Ambient Ionization Source Using Temporally Resolved Monochromatic Imaging Spectrometry

The low-temperature plasma (LTP) probe is a common plasma-based source used for ambient desorption–ionization mass spectrometry (MS). While the LTP probe has been characterized in detail with MS, relatively few studies have used optical spectroscopy. In this paper, two-dimensional (2D) imaging at selected wavelengths is used to visualize important species in the LTP plasma jet. First, 2D steady-state images of the LTP plume for N 2 + (391.2 nm), He I (706.5 nm), and N 2 (337.1 nm) emissions were recorded under selected plasma conditions. Second, time-resolved 2D emission maps of radiative species in the LTP plasma jet were recorded through the use of a 200 ns detection gate and varying gate delays with respect to the LTP trigger pulse. Emission from He I, N 2 + , and N 2 in the plasma jet region was found to show a transient behavior (often referred to as plasma bullets) lasting only a few microseconds. The N 2 + and He I maps were highly correlated in spatial and temporal structure. Further, emission from N 2 showed two maxima in time, one before and one after the maximum emission for N 2 + and He I, due to an initial electronic excitation wave and ion–electron recombination, respectively. Third, the interaction of the LTP probe with a sample substrate and an electrically grounded metallic needle was studied. Emission from a fluorophore on the sample substrate showed an initial photon-induced excitation from plasma-generated photons followed by electronic excitation by other plasma species. The presence of a grounded needle near the plasma jet significantly extended the plasma jet lifetime and also generated a long-lived corona discharge on the needle. The effect of LTP operating parameters on emission spectra was correlated with mass-spectral results including reagent-ion signals. Lastly, five movies provide a side-by-side comparison of the temporal behavior of emitting species and insights into the interactions of the emission clouds with a sample surface as well as an external needle. Temporally and spatially resolved imaging provided insights into important processes in the LTP plasma jet, which will help improve analyte ion sampling in LTP–MS.

Chan, George C. -Y.↗
DOE OSTI2026

Reductions in wind farm main bearing rating lives resulting from wake impingement

This paper studies the impacts of wake impingement on main bearing rating lives predicted during the wind turbine design stage. A computational tool chain was developed to explore and quantify these effects across a wind farm populated by 10 MW wind turbines. Wind field and turbine load modelling was undertaken using the Dynamiks Python package, including application of a dynamic wake meandering model. The ISO 281 basic bearing rating life formulation was subsequently applied in order to evaluate impacts from wake effects. Analyses included a two-turbine parametric analysis, followed by a full wind farm analysis undertaken for the TotalControl 32-turbine reference wind farm, including full wind rose simulations across all operational wind speeds. Site conditions were accounted for using a Weibull wind speed distribution and a range of parametric wind direction rose models. Results indicate that wind farm main bearing rating lives are negatively impacted by the effects of wake impingement, resulting in rating life reductions for the analysed wind farm of the order of 16 % on average and as much as 20 %–25 %, both for the locating main bearing. Despite these high sensitivities, it is important to note that these resultant rating lives (i.e. the predicted lives) still far exceed the standard wind turbine operational lifetimes of 20–30 years. Wake impacts were also found to be asymmetrically related to the side on which the rotor is impinged, suggesting that, for the main bearing, there may be a “better” side for wake impingement to occur. Rating life sensitivities to wind rose shape were also observed. While these findings must be interpreted with due consideration for the various methodological limitations present, they provide compelling evidence that wake effects at the wind farm level should necessarily be included when undertaking main bearing operational load modelling, rating life assessment, or other load-related analyses.

17 WIND ENERGY↗
DOE OSTI2021

Are you using the right probe molecules for assessing the textural properties of metal–organic frameworks?

Textural properties—such as the surface area, pore size distribution, and pore volume—are at the forefront of characterization for porous materials. Therefore, it is essential to accurately and reproducibly report a material's textural properties as they could ultimately dictate its applicability. This work aims to provide insightful and comprehensive studies of textural properties for a set of metal–organic frameworks (MOFs), a class of porous materials, using various gases to equip researchers in the field with a helpful guide and reference. Here, we selected a series of nine MOFs with different surface areas, pore sizes, shapes, and chemical environments to represent a wide range of materials. We probed the textural properties of these MOFs using traditional and distinctive gases: N 2 , Kr and O 2 at 77 K, Ar at 87 K, and CO 2 at 195 and 273 K. With regard to surface area, we discuss the validity and challenges associated with the current BET method, the importance of utilizing the Rouquerol et al. consistency criteria to ensure accuracy and reproducibility, and the recommended gas probes for certain materials. For pore size distribution, we discuss the efficacy of each probe for determining the pore sizes within a porous material relative to the calculated distribution from its crystal structure, the limitations of current computational kernels used to calculate pore size distributions, and the need for advanced kernels to envelope the diversity of porous materials. Finally, for pore volume, we discuss the use of the Gurvich rule to obtain the total pore volume in comparison with calculated values from crystal structures and its consistency as a metric for porous materials. Ultimately, we hope that this article will aid researchers in characterizing the textural properties of porous materials and encourage the development of new kernels capable of encompassing the complexity of MOFs and other porous materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗