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At least 469 records · Page 26

Using the optimal combined index weight ratio to improve the probability of anomaly detection in big area additive manufacturing

Big Area Additive Manufacturing (BAAM) of composites requires significant time, energy, and material, so it is critical to reduce production inefficiencies to make functional parts without multiple iterations. Statistical process control coupled with Principal Component Analysis (PCA) is a powerful technique that provides a quick, computationally inexpensive, and intuitive way for operators to detect defects that form in a manufacturing process without massive datasets. Recently, a combined index that is a weighted sum of the Hotelling's T 2 and squared residual error statistics has been proposed that can be monitored in one chart, improving interpretation accuracy and simplicity. However, the literature does not offer a formal method to optimise the weights. Here, we introduce two new approaches to the traditional weight selection approach using simulated and BAAM image data. Approach 1 uses a theoretically motivated optimum inspired by probabilistic principal component analysis. Approach 2 systematically varies the ratio of the weights to find the optimum. We show that approach 1 delivers optimal anomaly detection performance in select cases while approach 2 fares better in practice. Surprisingly, we also show that choosing a more complex PCA model has a minimal negative impact on anomaly detection performance compared to a more simplistic model.

3-dimensional printing↗

Unraveling Hydrogen Induced Geochemical Reaction Mechanisms through Coupled Geochemical Modeling and Machine Learning

Underground hydrogen storage (UHS) provides a promising large-scale, long-term energy storage solution. A reasonable recovery of stored hydrogen is critical for a successful storage scheme. However, in subsurface reservoirs hydrogen is subject to active geochemical reactions that might result in hydrogen loss. In this study, we implemented a geochemical modeling approach coupled with an unsupervised machine learning technique called non-negative matrix factorization (NMF) to unravel the complex brine-rock-H 2 geochemical processes responsible for hydrogen losses, with particular focus on sulfate reduction reactions. NMF is applied to modeled mineral evolution and fluid component profiles to retrieve profiles that can be interpreted to more easily assess competing processes. NMF decouples simulated competing equilibrium reactions. This facilitates separation of overlapping reaction profiles from redox processes, dissolution fronts, and secondary precipitation while considering the effects of simulation parameters such as salinity, temperature, and total H 2 pressure. NMF successfully discriminates these competing effects in nonlinear ways, allowing robust interpretation. In addition, NMF reveals subtle coupled mineral associations and reaction fronts that are invisible to conventional model analysis. This integrated approach strengthens the conceptual understanding of complex nonlinear hydrogen-brine-rock interactions and advances geochemical research on UHS systems to resolve complexities in modeled geochemical systems without the need for direct experiments or prior knowledge. Furthermore, this study highlights the efficacy of combining geochemical modeling with machine learning techniques to enhance the interpretability of the intricate geochemical simulation output through deciphering the overlapping reaction path that cannot be achieved only using conventional analysis of geochemical models alone.

08 HYDROGEN↗

Thermoelastic properties of tungsten at simultaneous high pressure and temperature

In this work, the compressional ( P ) and shear wave velocities ( S ) and unit cell volumes (densities) of polycrystalline tungsten (W) have been measured simultaneously up to 10.5 GPa and 1073 K using ultrasonic interferometry in conjunction with x-ray diffraction and x-radiography techniques. Thermoelastic properties of W were derived using different methods. We obtained the isothermal bulk modulus K T 0 = 310.3(1.5) GPa, its pressure derivative K ' T 0 = 4.4(3), its temperature derivative at constant pressure ( ∂ K T / ∂ T ) P = – 0.0138 ( 1 ) GPa K – 1 and at constant volume ( ∂ K T / ∂ T ) V = – 0.0050 GPa K – 1 , the thermal expansion α ( 0, T ) = 1.02(27) × 10 –5 + 7.39(3.2) × 10 –9 T (K –1 ), as well as the pressure derivative of thermal expansion ( ∂ α / ∂ P ) T = – 1.44 ( 1 ) × 10 – 7 K – 1 GP a – 1 based on the high-temperature Birch–Murnaghan equation of state (EOS), the Vinet EOS, and thermal pressure approach. Finite strain analysis allowed us to derive the elastic properties and their pressure/temperature derivatives independent of the choice of pressure scale. A least-squares fitting yielded K S 0 = 314.5(2.5) GPa, K S 0 ' = 4.45(9), (∂ K S /∂ T ) P = – 0.0076(6) GPa K –1 , G 0 = 162.4(9) GPa, G 0 ' = 1.8(1), (∂ G /∂ T ) P = – 0.0175(9) GPa K –1 , and α 298 K = 1.23 × 10 – 5 K – 1 . Fitting current data to the Mie–Grüneisen–Debye EOS with derived θ 0 = 383.4 K yielded γ 0 = 1.81 ( 6 ) and q = 0.3 . The thermoelastic parameters obtained from various approaches are consistent with one another and comparable with previous results within uncertainties. Our current study provides a complete and self-consistent dataset for the thermoelastic properties of tungsten at high P – T conditions, which is important to improve the theoretical modeling of these materials under dynamic conditions.

36 MATERIALS SCIENCE↗

Beyond PCA: Additional Dimension Reduction Techniques to Consider in the Development of Climate Fingerprints

Abstract Dimension reduction techniques are an essential part of the climate analyst’s toolkit. Due to the enormous scale of climate data, dimension reduction methods are used to identify major patterns of variability within climate dynamics, to create compelling and informative visualizations, and to quantify major named modes such as El Niño–Southern Oscillation. Principal components analysis (PCA), also known as the method of empirical orthogonal functions (EOFs), is the most commonly used form of dimension reduction, characterized by a remarkable confluence of attractive mathematical, statistical, and computational properties. Despite its ubiquity, PCA suffers from several difficulties relevant to climate science: high computational burden with large datasets, decreased statistical accuracy in high dimensions, and difficulties comparing across multiple datasets. In this paper, we introduce several variants of PCA that are likely to be of use in climate sciences and address these problems. Specifically, we introduce non-negative , sparse , and tensor PCA and demonstrate how each approach provides superior pattern recognition in climate data. We also discuss approaches to comparing PCA-family results within and across datasets in a domain-relevant manner. We demonstrate these approaches through an analysis of several runs of the E3SM climate model from 1991 to 1995, focusing on the simulated response to the Mt. Pinatubo eruption; our findings are consistent with a recently identified stratospheric warming fingerprint associated with this type of stratospheric aerosol injection.

Weylandt, Michael↗

Residential Façade Upgrades: Market Assessment and Recommendations

In support of DOE’s move toward transformational whole-building upgrades and enclosure solutions, the Pacific Northwest National Laboratory (PNNL) and National Renewable Energy Laboratory (NREL) are partnering and collaborating with leading building science researchers and home-performance entities to identify and characterize technical and economic barriers to façade retrofits in an effort to identify market-viable façade solutions and opportunities for an actionable plan to transform the market. The project includes partnerships with Building Science Corporation (BSC) and a combination of strategic implementation partners with home-performance and retrofit expertise and industry contacts. The project will include expert advisory and review consultation from Lawrence Berkeley National Laboratory’s (LBNL’s) Residential Windows & Attachments team and Oak Ridge National Laboratory’s Building Envelope team. The project consists of three parts: 1. a market analysis that captures the current state of the façade retrofit market and includes housing characteristics and retrofit costs, façade retrofit approaches and materials, contractor business models and workforce requirements to support advanced façade approaches; 2. an economic analysis focused on the viability of advanced façade retrofit approaches and materials; and 3. field demonstration of façade retrofits that include enhanced insulation/air-sealing and window technologies in multiple climate zones. This report represents the market analysis, as outlined in item 1 above. The goal of this analysis is to provide a techno-economic study that supports comprehensive retrofits of residential enclosures that include traditional approaches, and integrated wall assemblies and windows that result in durable, energy efficient, and marketable strategies. This study will provide a better knowledge base regarding the viable market for façade retrofit strategies, identify the barriers to uptake, analyze economic opportunities, and develop documentation specifically aimed to overcome technical and market barriers associated with installation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Unsupervised learning of ferroic variants from atomically resolved STEM images

An approach for the analysis of atomically resolved scanning transmission electron microscopy data with multiple ferroic variants in the presence of imaging non-idealities and chemical variabilities based on a rotationally invariant variational autoencoder (rVAE) is presented. We show that an optimal local descriptor for the analysis is a sub-image centered at specific atomic units, since materials and microscope distortions preclude the use of an ideal lattice as a reference point. The applicability of unsupervised clustering and dimensionality reduction methods is explored and is shown to produce clusters dominated by chemical and microscope effects, with a large number of classes required to establish the presence of rotational variants. Comparatively, the rVAE allows extraction of the angle corresponding to the orientation of ferroic variants explicitly, enabling straightforward identification of the ferroic variants as regions with constant or smoothly changing latent variables and sharp orientational changes. This approach allows further exploration of the chemical variability by separating the rotational degrees of freedom via rVAE and searching for remaining variability in the system. The code used in this article is available at https://github.com/saimani5/ferroelectric_domains_rVAE.

30 DIRECT ENERGY CONVERSION↗

Bacterium-enabled transient gene activation by artificial transcription factors for resolving gene regulation in maize

Abstract Understanding gene regulatory networks is essential to elucidate developmental processes and environmental responses. Here, we studied regulation of a maize (Zea mays) transcription factor gene using designer transcription activator-like effectors (dTALes), which are synthetic Type III TALes of the bacterial genus Xanthomonas and serve as inducers of disease susceptibility gene transcription in host cells. The maize pathogen Xanthomonas vasicola pv. vasculorum was used to introduce 2 independent dTALes into maize cells to induced expression of the gene glossy3 (gl3), which encodes a MYB transcription factor involved in biosynthesis of cuticular wax. RNA-seq analysis of leaf samples identified, in addition to gl3, 146 genes altered in expression by the 2 dTALes. Nine of the 10 genes known to be involved in cuticular wax biosynthesis were upregulated by at least 1 of the 2 dTALes. A gene previously unknown to be associated with gl3, Zm00001d017418, which encodes aldehyde dehydrogenase, was also expressed in a dTALe-dependent manner. A chemically induced mutant and a CRISPR-Cas9 mutant of Zm00001d017418 both exhibited glossy leaf phenotypes, indicating that Zm00001d017418 is involved in biosynthesis of cuticular waxes. Bacterial protein delivery of dTALes proved to be a straightforward and practical approach for the analysis and discovery of pathway-specific genes in maize.

59 BASIC BIOLOGICAL SCIENCES↗

Survey of Cybersecurity Governance, Threats, and Countermeasures for the Power Grid

The convergence of Information Technologies and Operational Technology systems in industrial networks presents many challenges related to availability, integrity, and confidentiality. In this paper, we evaluate the various cybersecurity risks in industrial control systems and how they may affect these areas of concern, with a particular focus on energy-sector Operational Technology systems. There are multiple threats and countermeasures that Operational Technology and Information Technology systems share. Since Information Technology cybersecurity is a relatively mature field, this paper emphasizes on threats with particular applicability to Operational Technology and their respective countermeasures. We identify regulations, standards, frameworks and typical system architectures associated with this domain. We review relevant challenges, threats, and countermeasures, as well as critical differences in priorities between Information and Operational Technology cybersecurity efforts and implications. These results are then examined against the recommended National Institute of Standards and Technology framework for gap analysis to provide a complete approach to energy sector cybersecurity. We provide analysis of countermeasure implementation to align with the continuous functions recommended for a sound cybersecurity framework.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Mercury speciation using microcolumns with a direct mercury analyzer (DMA). Development of analytical method for the Savannah River Site liquid system

Mercury in the Savannah River Site (SRS) Liquid Waste System (LWS) exists in various forms, including: a) ionic inorganic mercury, organomercury (e.g., methyl Hg), and other less abundant species dissolved in LWS fluids, b) mercury solids such as oxides, hydroxides, amalgams, sulfides, and sorbed mercury, c) accumulations of dense liquid elemental mercury, and d) vapor phase elemental and organomercury mercury in tank headspace gas and in evaporators. Strategic and proactive management of the estimated 60,000 Kg mercury in the LWS requires deployment of efficient and effective paradigms for sampling and analysis of the total quantity of mercury in the various physical-chemical forms. Scoping tests of selective gas-phase sorbents for mercury speciation were performed to support LWS objectives. This research specifically focused on developing and testing streamlined methods to obtain high-quality analytical results for gaseous mercury species. The proposed methods are straightforward, using small columns (microcolumns) filled with materials that selectively sorb one or more target forms of mercury. Simple differentiation of mercury species and quantification is then achieved using an efficient thermal-desorption-based total mercury analyzer as the final step. Benefits associated with transitioning from multistep procedures such as EPA Methods 245.1, 1630 and 1631to streamlined microcolumn approaches include reduced analysis time, labor, and waste generation. Such transitioning would maximize the value of the current deployment of direct mercury analysis (EPA Method 7473) at SRS. This work has two target end uses: 1) simplifying the analysis steps and reducing costs for liquid samples (e.g., developing a total organic mercury (TOM) method), and 2) providing options for high-quality onsite analysis and rapid turnaround for gas samples in support of SRS LWS industrial hygiene (IH) objectives.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterizing a supernova’s standing accretion shock instability with neutrinos and gravitational waves

Here, we perform a novel multi-messenger analysis for the identification and parameter estimation of the Standing Accretion Shock Instability (SASI) in a core collapse supernova with neutrino and gravitational wave (GW) signals. In the neutrino channel, this method performs a likelihood ratio test for the presence of SASI in the frequency domain. For gravitational wave signals we process an event with a modified constrained likelihood method. Using simulated supernova signals, the properties of the Hyper-Kamiokande neutrino detector, and O3 LIGO Interferometric data, we produce the two-dimensional probability density distribution (PDF) of the SASI activity indicator and calculate the probability of detection P D as well as the false identification probability P FI . We discuss the probability to establish the presence of the SASI as a function of the source distance in each observational channel, as well as jointly. Compared to a single-messenger approach, the joint analysis results in P D (at P FI = 0.1) of SASI activities that is larger by up to ≈ 40% for a distance to the supernova of 5 kpc. We also discuss how accurately the frequency and duration of the SASI activity can be estimated in each channel separately. Our methodology is suitable for implementation in a realistic data analysis and a multi-messenger setting.

79 ASTRONOMY AND ASTROPHYSICS↗

A Comprehensive Review and Qualitative Analysis of Micro-Combined Heat and Power Modeling Approaches

Concurrent production of electrical and thermal energy from a Combined Heat and Power (CHP) device is an attractive tool to address the growing energy needs of the planet. Micro CHP (µCHP) systems can reduce a building’s primary energy consumption, reduce carbon footprint, and enhance resiliency. Modeling of the µCHP helps understand the system from multiple perspectives and helps discover errors earlier, improves impact analysis and simulation of system solutions for ease of integration with the building. Consequently, there is a need for analysis of the impact of µCHP modeling approach on its reliability and flexibility. The primary objective of this paper is to review the state-of-the art models in the µCHP space with a focus towards internal combustion engine as the primary mover (PM) and limit the study to system modeling, calibration, and validation methodologies. Based on the analysis, recommendations for further model considerations and refinements are presented.

42 ENGINEERING↗

Data from A Mass Spectrometry-Based High-Throughput Screening Method for Engineering Fatty Acid Synthases with Improved Production of Medium Chain Fatty Acids

Microbial cell factories have been extensively engineered to produce free fatty acids (FFAs) as key components of crucial nutrients, soaps, industrial chemicals, and fuels. However, our ability to control the composition of microbially synthesized FFAs is still limited, particularly, for producing medium‐chain fatty acids (MCFAs). This is mainly due to the lack of high‐throughput approaches for FFA analysis to engineer enzymes with desirable product specificity. Here we report a mass spectrometry (MS)‐based method for rapid profiling of MCFAs in Saccharomyces cerevisiae by using membrane lipids as a proxy. In particular, matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI‐ToF) MS was used to detect shorter acyl chain phosphatidylcholines from membrane lipids and a higher m/z peak ratio at 730 and 758 was used as an indication for improved MCFA production. This colony‐based method can be performed at a rate of ~2 s per sample, representing a substantial improvement over gas chromatography‐MS (typically >30 min per sample) as the gold standard method for FFA detection. To demonstrate the power of this method, we performed site‐saturation mutagenesis of the yeast fatty acid synthase and identified nine missense mutations that resulted in improved MCFA production relative to the wild‐type strain. Colony‐based MALDI‐ToF MS screening provides an effective approach for engineering microbial fatty acid compositions in a high‐throughput manner.

Conversion↗

Laue-DIALS: Open-source software for polychromatic x-ray diffraction data

Most x-ray sources are inherently polychromatic. Polychromatic (“pink”) x-rays provide an efficient way to conduct diffraction experiments as many more photons can be used and large regions of reciprocal space can be probed without sample rotation during exposure—ideal conditions for time-resolved applications. Analysis of such data is complicated, however, causing most x-ray facilities to discard >99% of x-ray photons to obtain monochromatic data. Key challenges in analyzing polychromatic diffraction data include lattice searching, indexing and wavelength assignment, correction of measured intensities for wavelength-dependent effects, and deconvolution of harmonics. We recently described an algorithm, Careless, that can perform harmonic deconvolution and correct measured intensities for variation in wavelength when presented with integrated diffraction intensities and assigned wavelengths. Here, we present Laue-DIALS, an open-source software pipeline that indexes and integrates polychromatic diffraction data. Laue-DIALS is based on the dxtbx toolbox, which supports the DIALS software commonly used to process monochromatic data. As such, Laue-DIALS provides many of the same advantages: an open-source, modular, and extensible architecture, providing a robust basis for future development. We present benchmark results showing that Laue-DIALS, together with Careless, provides a suitable approach to the analysis of polychromatic diffraction data, including for time-resolved applications.

97 MATHEMATICS AND COMPUTING↗

Why does cyber deterrence fail and when might it succeed? A framework for cyber scenario analysis

Through cyberattacks on information technology and digital communications systems, antagonists have increasingly been able to alter the strategic balance in their favor without provoking serious consequences. Conflict within and through the cyber domain is inherently different from conflict in other domains that house our critical systems. These differences result in new challenges for defending and creating resilient systems, and for deterring those who would wish to disrupt or destroy them. The purpose of this paper is to further examine the question of whether or not deterrence can be an effective strategy in cyber conflict, given our broad and varied interests in cyberspace. We define deterrence broadly as the creation of conditions that dissuade antagonists from taking unwanted actions because they believe that they will incur unacceptably high costs and/or receive insufficient benefits from taking that action. Deterrence may or may not be the most credible or effective strategy for achieving our desired end states in cybersecurity. Regardless of the answer here, however, it is important to consider why deterrence strategies might succeed under certain conditions, and to understand why deterrence is not effective within the myriad contexts that it appears fail. Deterrence remains a key component of U.S. cyber strategy, but there is little detail on how to operationalize or implement this policy, how to bring a whole-of-government and whole-of- private-sector approach to cyber deterrence, which types of antagonists can or should be deterred, and in which contexts. Moreover, discussion about how nations can and should respond to significant cyber incidents largely centers around whether or not the incident constitutes a "use of force," which would justify certain types of responses according to international law. However, we believe the "use of force" threshold is inadequate to describe the myriad interests and objectives of actors in cyberspace, both attackers and defenders. In this paper, we propose an approach to further examine if deterrence is an effective strategy and under which conditions. Our approach includes systematic analysis of cyber incident scenarios using a framework to evaluate the effectiveness of various activities in influencing antagonist behavior. While we only examine a single scenario for this paper, we propose that additional work is needed to more fully understand how various alternative thresholds constrain or unleash options for actors to influence one another's behavior in the cyber domain.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space

In sharp contrast to molecular synthesis, materials synthesis is generally presumed to lack selectivity. The few known methods of designing selectivity in solid-state reactions have limited scope, such as topotactic reactions or strain stabilization. This contribution describes a general approach for searching large chemical spaces to identify selective reactions. This novel approach explains the ability of a nominally “innocent” Na 2 CO 3 precursor to enable the metathesis synthesis of single-phase Y 2 Mn 2 O 7 : an outcome that was previously only accomplished at extreme pressures and which cannot be achieved with closely related precursors of Li 2 CO 3 and K 2 CO 3 under identical conditions. By calculating the required change in chemical potential across all possible reactant-product interfaces in an expanded chemical space including Y, Mn, O, alkali metals, and halogens, using thermodynamic parameters obtained from density functional theory calculations, we identify reactions that minimize the thermodynamic competition from intermediates. In this manner, only the Na-based intermediates minimize the distance in the hyperdimensional chemical potential space to Y 2 Mn 2 O 7 , thus providing selective access to a phase which was previously thought to be metastable. Experimental evidence validating this mechanism for pathway-dependent selectivity is provided by intermediates identified from in situ synchrotron-based crystallographic analysis. Finally, this approach of calculating chemical potential distances in hyperdimensional compositional spaces provides a general method for designing selective solid-state syntheses that will be useful for gaining access to metastable phases and for identifying reaction pathways that can reduce the synthesis temperature, and cost, of technological materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring the Performance Boundaries of a Small Reconfigurable Multi-Mission UAV through Multidisciplinary Analysis

The performance of a small reconfigurable unmanned aerial vehicle (UAV) is evaluated, combining a multidisciplinary approach in the computational analysis of additive manufactured structures, fluid dynamics, and experiments. Reconfigurable UAVs promise cost savings and efficiency, without sacrificing performance, while demonstrating versatility to fulfill different mission profiles. The use of computational fluid dynamics (CFD) in UAV design produces higher accuracy aerodynamic data, which is particularly important for complex aircraft concepts such as blended wing bodies. To address challenges relating to anisotropic materials, the Tsai–Wu failure criterion is applied to the structural analysis, using CFD solutions as load inputs. Aerodynamic performance results show the low-speed variant attains an endurance of 1 h, 48 min, whereas its high-speed counterpart is 29 min at a 66.7% higher cruise speed. Each variant serves different aspects of small UAS deployment, with low speed envisioned for high-endurance surveying, and high speed for long-range or time-critical missions such as delivery. The experimental and simulation results suggest room for design iteration, in wing area and geometry adjustments. Structural simulations demonstrated the need for airframe improvements to the low-speed configuration. This paper highlights the potential of reconfigurable UAVs to be useful across multiple industries, advocating for further research and design improvements.

42 ENGINEERING↗

Quantifying the Impact of Metal Population Distribution in MFI-Supported Mo Catalysts for Methane Dehydroaromatization

Precise evaluation of intrinsic kinetic behavior in Mo/MFI catalysts for methane dehydroaromatization (MDA) is confounded by variations in Mo dispersion and speciation, which are influenced by metal loading and zeolite acidity. This work advances the utility of H 2 -temperature programmed reduction (H 2 -TPR) for characterizing Mo/MFI catalysts by enabling quantitative comparison of MoO x populations distinguished by reduction behavior and linked to initial catalytic performance. A comprehensive H 2 reduction pathway is established through systematic H 2 - TPR studies varying catalyst composition (1–10 wt % Mo, Si/Al = 15, 40, ∞), supplemented by UV-Raman spectroscopy, X-ray powder diffraction, N 2 physisorption, NH 3 -TPD, and advanced spectroscopic analysis (in situ XAS with principal component analysis/multivariate curve resolution—alternating least squares). Two low-temperature H 2 -TPR regions capture distinct Mo populations undergoing initial Mo(VI)→Mo(IV) reduction: a lower-temperature population (Mo-RI) associated primarily with highly dispersed, anchored MoO x species expected to predominantly reside within MFI channels, and a higher-temperature population (Mo-RII) corresponding to a broader set of MoO x species that becomes increasingly bulk-like/extrazeolitic at higher Mo loading. Quantification of these populations provides practical, kinetically relevant descriptors for comparing initial MDA rates across catalysts with varying Mo loading, Si/Al ratio, and MoO x heterogeneity. Application of lower-temperature Mo-RI estimates to kinetic measurements reveals a minimum threshold of ∼0.12 × 10 –3 mol Mo-RI/g cat , above which initial forward benzene rates normalized to this population converge despite differences in metal loading and zeolite Brønsted acidity. This threshold coincides with a transition toward a common C 2 -mediated benzene-forming regime, as indicated by approach-to-equilibrium analysis of methane-to-ethane, ethane-to-ethylene, and ethylene-to-benzene reaction steps. Above this threshold, normalized initial benzene rates are nearly invariant with increasing Mo-RII/Mo-RI population ratio, indicating that excess Mo-RII populations, including bulk-like/extrazeolitic MoO x domains present at higher loading, do not measurably suppress benzene formation associated with anchored and mostly channel-confined Mo population under the initial-rate conditions examined.

Mo/MFI↗