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Formed Core Sampler Hydraulic Conductivity Testing

A full-scale formed core sampler was designed and functionally tested for use in the Saltstone Disposal Facility (SDF). Savannah River National Laboratory (SRNL) was requested to compare properties of the formed core samples and core drilled samples taken from adjacent areas in the full-scale sampler. While several physical properties were evaluated, the primary property of interest was hydraulic conductivity. Differences in hydraulic conductivity between the samples from the formed core sampler and those representing the bulk material were noted with respect to the initial handling and storage of the samples. Due to testing conditions, the site port samples were exposed to uncontrolled temperature and humidity conditions prior to testing whereas the formed core samples were kept in sealed containers with minimal exposure to an uncontrolled environment prior to testing. Based on the results of the testing, no significant differences in porosity or density were found between the formed core samples and those representing the bulk material in the test stand.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of crystalline ceramic waste form

The research conducted in this work package is to collect data in support of future development of ceramic waste forms and to help develop the next generation high performance waste management technologies. This work package collaborates closely with the work conducted under “Ceramics - Savannah River National Laboratory (SRNL) - (FT-15SR030702)” and the NEUP project “Alternative High-Performance Ceramic Waste Forms” – Alfred University (AU) – (DE-AC07-05ID14517)”. The Los Alamos National Laboratory (LANL) is focusing on characterization and testing procedure on the reference crystalline ceramics to further develop the crystalline ceramic waste form to incorporate combined HLW raffinate stream and/or TRU stream from fuels fabrication processes. In Fiscal Year 2015, we are mainly working on cold crucible induction melter (CCIM) test multi-phase crystalline ceramic waste form samples and single phase hollandite materials. Various characterization techniques (including X-ray diffraction, transmission electron microscopy, scanning electron microscopy) were used to characterize CCIM samples. For the radiation stability test, in situ radiation techniques were employed to simulate self-radiation in waste form samples.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Liquid Secondary Waste Grout Formulation and Waste Form Qualification

This report describes the results from liquid secondary waste (LSW) grout formulation and waste form qualification tests performed at Pacific Northwest National Laboratory (PNNL) for Washington River Protection Solutions (WRPS) to evaluate new formulations for preparing a grout waste form with high-sulfate secondary waste simulants and the release of key constituents from these grout monoliths. Specific objectives of the LSW grout formulation and waste form qualification tests described in this report focused on five activities: 1.preparing new formulations for the LSW grout waste form with high-sulfate LSW simulants and solid characterization of the cured LSW grout waste form; 2.conducting the U.S. Environmental Protection Agency (EPA) Method 1313 leach test (EPA 2012) on the grout prepared with the new formulations, which solidify sulfate-rich Hanford Tank Waste Treatment and Immobilization Plant (WTP) off-gas condensate secondary waste simulant, using deionized water (DIW); 3.conducting the EPA Method 1315 leach tests (EPA 2013) on the grout monoliths made with the new dry blend formulations and three LSW simulants (242-A evaporator condensate, Environmental Restoration Disposal Facility (ERDF) leachate, and WTP off-gas condensate) using two leachants, DIW and simulated Hanford Integrated Disposal Facility (IDF) Site vadose zone pore water (VZPW); 4.estimating the 99 Tc desorption K d (distribution coefficient) values for 99 Tc transport in oxidizing conditions to support the IDF performance assessment (PA); 5.estimating the solubility of 99 Tc(IV)-bearing solid phases for 99 Tc transport in reducing conditions to support the IDF PA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comparison of Light-Weight Radioisotope Heater Unit (LWRHU) Historical Testing to Special Form Testing Requirements

This paper compares the Light-Weight Radioisotope Heater Unit (LWRHU) historical testing to Department of Transportation (DOT) Special Form criteria per 49 CFR Part 173, Shippers-General Requirements for Shipments and Packages, Section 469, Tests for special form Class 7 (radioactive) materials as specified in DOE-STD-1027, Hazard Categorization of DOE Nuclear Facilities. Compliance with the aforementioned criteria allows for the exclusion of radioactive sources from the facility’s nuclear material inventory. As part of a new program at Los Alamos National Laboratory (LANL), LWRHUs are planned to be moved into TA-55, PF-5 Power Source Assembly Area (PSAA) for assembly and testing activities. The PSAA Facility is categorized as a low hazard, non-nuclear facility per DOE STD-1027 and is described in TA55-PF-5-FHC-11-001, Facility Hazard Categorization of the PSAA at PF-5, TA-55. The Facility Hazard Categorization document states, there must be documentation that radioactive sources are engineered to pass the special form testing specified by DOT in 49 CFR 173.469, Tests for special form Class 7 (radioactive) materials or ANSI N43.6, Sealed Radioactive Sources - Classification. This paper documents the extensive historical environmental safety testing of the LWRHU and demonstrates its ability to survive potential launch safety accident scenarios. The testing results are used herein to demonstrate through a comparative analysis that the robust design of the LWRHU meets or exceeds the special form testing specifications in 49 CFR 173.469, enabling the LWRHU to be transported and handled in PF-5 in support of testing and assembly program.

07 ISOTOPE AND RADIATION SOURCES↗

The Center for Performance and Design of Nuclear Waste Forms and Containers (WastePD) Energy Frontier Research Center (Final Report)

The DOE Office of Environmental Management is responsible for high level nuclear waste that must be safely isolated from humans and the environment for extremely long periods. The waste forms and containers are made of glass, ceramics, and metals. Verified safe disposal requires understanding the fundamental mechanisms of waste form degradation and the design of new waste forms with improved performance, which comprise the goals of the Energy Frontier Research Center known as the Center for the Performance and Design of Nuclear Waste Forms and Containers, WastePD. WastePD was constructed to develop innovative approaches and solutions to those goals through the synergistic interactions of individuals who are experts in the degradation behavior, modeling, and design of glasses, ceramics and metal alloys. WastePD is the first center ever created to address this diverse group of materials in a comprehensive and coordinated manner. The science goals are grouped into three common topics: corrosion mechanisms via advanced characterization, environmental impacts, and materials design. Synergistic interactions in these areas were a key component of WastePD. The fundamental understanding of the degradation mechanisms of the waste forms and containers as well as the development of new materials with improved properties will allow DOE to prevent environmental contamination and to explore totally new repository concepts. WastePD was operational from August 2016 through July 2022, but the DOE support was drastically reduced for the last two years. This final technical report covers the full period of performance. However, much of what was accomplished in the first four years is nicely summarized in a review paper published in 2021, which is appended to this report. Therefore, this final report focuses on the technical findings from the last two years of WastePD activities. Considerable progress was made in the areas of a) the environmental and compositional impacts on the corrosion of borosilicate and aluminosilicate glasses, b) the mechanism of glass corrosion and the structure and evolution of the surface alteration layer, c) the effects of environment and composition on the corrosion of pyrochlore, perovskite, hollandite, and other oxide ceramics, d) the corrosion mechanism of multi-principal element metallic alloys, and e) a new framework for understanding the pitting corrosion of metals.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Bulk Power System Dynamics with Varying Levels of Synchronous Generators and Grid-Forming Power Inverters: Preprint

Inverters using phase-locked loops for control depend on voltages generated by synchronous machines to operate. This might be problematic if much of the conventional generation fleet is displaced by inverters. To solve this problem, grid-forming control for inverters has been proposed as being capable of autonomously regulating grid voltages and frequency. Presently, the performance of bulk power systems with massive penetrations of grid-forming inverters has not been thoroughly studied to elucidate benefits. Hence, this paper presents inverter models with two grid-forming strategies: virtual oscillator control and droop control. The two models are specifically developed to be used in positive-sequence simulation packages and have been implemented in PSLF. The implementations are used to study the performance of bulk power grids incorporating inverters with grid-forming capability. Specifically, simulations are conducted on a modified IEEE 39-bus test system and the micro-WECC test system with varying levels of synchronous and inverter-based generation. The dynamic performance of the tested systems with grid-forming inverters during contingency events is better than cases with only synchronous generation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Fabrication and Properties of Technetium-Bearing Pyrochlores and Perovskites as Potential Waste Forms - 13222

Technetium-99 (t{sub 1/2}= 2.13x10{sup 5} years) is important from a nuclear waste perspective and is one of the most abundant, long-lived radioisotopes in used nuclear fuel (UNF). As such, it is targeted in UNF separation strategies such as UREX+, for isolation and encapsulation in solid waste forms for storage in a nuclear repository. We report here results regarding the incorporation of Tc-99 into ternary oxides of different structure types: pyrochlore (Nd{sub 2}Tc{sub 2}O{sub 7}), perovskite (SrTcO{sub 3}), and layered perovskite (Sr{sub 2}TcO{sub 4}). The goal was to determine synthesis conditions of these potential waste forms to immobilize Tc-99 as tetravalent technetium and to harvest crystallographic, thermophysical and hydrodynamic data. The objective of this research is to provide fundamental crystallographic and thermophysical data on advanced ceramic Tc-99 waste forms such as pyrochlore, perovskite, and layered perovskite in support of our current efforts on the corrosion of technetium-bearing waste forms. The ceramic Tc-99-bearing waste forms exhibit good crystallinity. The lattice parameters and crystal structures of the technetium host phases could be refined with high accuracies of ±3, ±4, and ±7 fm (10{sup -15} m), for Nd{sub 2}Tc{sub 2}O{sub 7}, SrTcO{sub 3}, and Sr{sub 2}TcO{sub 4}, respectively. The associated refinement residuals (R{sub Wp}) for the patterns are 4.1 %, 4.7 % and 6.7 %, and the refinement residuals for the individual phases (R{sub Bragg}) are 2.0 %, 2.4 % and 3.9 %, respectively. Thermophysical properties of the oxides SrTcO{sub 3}, Sr{sub 2}TcO{sub 4}, and Nd{sub 2}Tc{sub 2}O{sub 7} were analyzed using AC magnetic susceptibility measurements to further harvest information on the critical temperature (T{sub c}) for superconductivity. In our experiments the strontium technetates, SrTcO{sub 3} and Sr{sub 2}TcO{sub 4}, show superconductivity at rather high critical temperatures of T{sub c} = 7.8 K and 7 K, respectively. On the other hand Nd{sub 2}Tc{sub 2}O{sub 7} did not show any changes in magnetic properties above 3 K. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Preparation, Performance and Mechanism of Tc and I Getters in Cementitious Waste Forms - 17124

Cementitious waste forms offer a low temperature, cost effective technology for the solidification of liquid wastes. At the Department of Energy Hanford Site, 99-Tc and 129-I are radionuclides contained within low activity waste (LAW) which contribute significantly to environmental impacts associated with clean-up of the site. Cast Stone, a cementitious waste form comprised of 47 wt% blast furnace slag, 45 wt% fly ash and 8 wt% ordinary Portland cement, has undergone investigation as a possible candidate technology for the solidification of LAW. In screening tests using EPA Method 1315 leach testing of various mixes of Cast Stone with simulated LAW, Tc observed effective diffusivities (Dobs) had an average of 5.3 x 10-11 cm{sup 2}/s and I Dobs had an average of 5.7 x 10-9 cm{sup 2}/s. From these measurements, an opportunity exists to improve retention of Tc and I by Cast Stone. One approach to accomplish this is through the incorporation of Tc and I getters to selectively sequester Tc and I in the waste stream and eventual waste form. Initial testing conducted at PNNL identified potassium metal sulfide (KMS-2) and Sn(II)-apatite (Sn-A) as the strongest performing Tc getters and silver exchanged zeolite (Ag-Z) as the top performing I getter. This research also demonstrated that the Tc and I getters, when added to solution simultaneously, can have deleterious interactions with one another and lower the Tc and I removal levels. However, these interactions can be overcome through sequential treatment of solution with the getters. Cast Stone samples were fabricated using a 6.5 M Na average LAW simulant spiked with Tc and I with the addition of various combinations of Tc and I getters. Through EPA Method 1315 and Method 1313 testing it was found that the KMS-2 Tc getter was most successful at lowering Tc Dobs. The I getters were not effective, as apparent interference from sulfide components of the waste form may have led to dissociation of the AgI formed by the Ag-Z getter in sequestering the I from solution. (authors)

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Evaluating the Impacts of Reactive Gas (Carbon Dioxide and Oxygen) Ingress on Leaching from Cementitious Waste Forms - 17482

Cementitious materials are currently being used as the waste forms for low-activity waste disposal (Saltstone) at the Savannah River Site. In addition, cementitious materials have been selected as the waste form (Cast Stone) for secondary wastes and are being investigated for use for supplemental low-activity waste treatment (Cast Stone) at the Hanford Site. These materials are subjected to numerous aging and degradation phenomena in the disposal environment that potentially impact their long-term durability and performance. One important phenomenon is the ingress of reactive gases (i.e., carbon dioxide and oxygen) that can react with and change the chemistry and pore structure and thus mass transport properties of the waste forms. The reaction of carbon dioxide (i.e., carbonation) reduces the pH of the waste form pore solution impacting the solubility of constituents of potential concern (COPCs). In Cast Stone and Saltstone, the reaction of oxygen (i.e., oxidation) impacts the solubility of redox-sensitive COPCs, notably the technetium-99 (Tc-99) and chromium. The objective of this research is to experimentally characterize the carbonation and oxidation impacts on chemistry and leaching behavior in cementitious waste forms using experimental techniques including United States Environmental Protection Agency (U.S. EPA) Method 1313 and U.S. EPA Method 1315. Results of experimental characterization will be used to parameterize reactive mass transport models to project leaching under a range of field scenarios in future applications. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DDT Polymorphism and the Lethality of Crystal Forms

Abstract DDT (1,1,1‐trichloro‐2,2‐bis(4‐chlorophenyl)ethane), a contact insecticide with a rich and controversial history since its activity was discovered in 1939, has long been thought to be monomorphic. Herein we report the discovery and characterization of a second polymorph, designated Form II, which can be isolated as single crystals, but converts very slowly at room temperature to the form reported previously, now designated as Form I. Computations based on an evolutionary algorithm for crystal structure prediction revealed that Forms I and II are among the four lowest energy crystal structures of fifty calculated. A preliminary study of the contact insecticidal activity toward fruit flies (Drosophila melanogaster) indicates that Form II is more active, suggesting opportunities for more effective solid‐state formulations that would allow reduced amounts of DDT, thereby minimizing environmental impact.

Yang, Jingxiang↗

DDT Polymorphism and the Lethality of Crystal Forms

DDT (1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane), a contact insecticide with a rich and controversial history since its activity was discovered in 1939, has long been thought to be monomorphic. Herein we report the discovery and characterization of a second polymorph, designated Form II, which can be isolated as single crystals, but converts very slowly at room temperature to the form reported previously, now designated as Form I. Computations based on an evolutionary algorithm for crystal structure prediction revealed that Forms I and II are among the four lowest energy crystal structures of fifty calculated. In this work, a preliminary study of the contact insecticidal activity toward fruit flies (Drosophila melanogaster) indicates that Form II is more active, suggesting opportunities for more effective solid-state formulations that would allow reduced amounts of DDT, thereby minimizing environmental impact.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of form factor uncertainties on interpretations of coherent elastic neutrino-nucleus scattering data

The standard model coherent elastic neutrino-nucleus scattering (CEνNS) cross section is subject to nuclear form factor uncertainties, mainly driven by the root-mean-square radius of the neutron density distribution. Motivated by COHERENT phases I-III and future multi-ton direct detection dark matter searches, we evaluate these uncertainties in cesium iodide, germanium, xenon and argon detectors. We find that the uncertainties become relevant for momentum transfers q≳20 MeV and are essentially independent of the form factor parameterization. Consequently, form factor uncertainties are not important for CEνNS induced by reactor or solar neutrinos. Taking into account these uncertainties, we then evaluate their impact on measurements of CEνNS at COHERENT, the diffuse supernova background (DSNB) neutrinos and sub-GeV atmospheric neutrinos. We also calculate the relative uncertainties in the number of COHERENT events for different nuclei as a function of recoil energy. For DSNB and atmospheric neutrinos, event rates at a liquid argon detector can be uncertain to more than 5%. Finally, we consider the impact of form factor uncertainties on searches for nonstandard neutrino interactions, sterile neutrinos and neutrino generalized interactions. We point out that studies of new physics using CEνNS data are affected by neutron form factor uncertainties, which if not properly taken into account may lead to the misidentification of new physics signals. The uncertainties quantified here are also relevant for dark matter direct detection search

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Bootstrapping a stress-tensor form factor through eight loops

We bootstrap the three-point form factor of the chiral stress-tensor multiplet in planar $\mathcal{N}$ = 4 supersymmetric Yang-Mills theory at six, seven, and eight loops, using boundary data from the form factor operator product expansion. This may represent the highest perturbative order to which multi-variate quantities in a unitary four-dimensional quantum field theory have been computed. In computing this form factor, we observe and employ new restrictions on pairs and triples of adjacent letters in the symbol. We provide details about the function space required to describe the form factor through eight loops. Plotting the results on various lines provides striking numerical evidence for a finite radius of convergence of perturbation theory. By the principle of maximal transcendentality, our results are expected to give the highest weight part of the gg → Hg and H → ggg amplitudes in the heavy-top limit of QCD through eight loops. These results were also recently used to discover a new antipodal duality between this form factor and a six-point amplitude in the same theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Constitutive model development of aluminum alloy 1100 for elevated temperature forming process

Commercially pure aluminum alloy, AA1100, presents good electrical and thermal conductivity, high formability, and low cost. Those favorable characteristics have the potential to enable bipolar plates with improved economics and enhanced performance compared to current stainless steel bipolar plates for proton exchange membrane fuel cells. An accurate constitutive model is essential to develop and optimize processing parameters and effectively control the forming process. Here, the objective of this work is to develop a constitutive model of AA1100 that is able to simulate stress-strain relation, formed geometry, and predict the onset of fracture strain to avoid forming failure. Initially, a set of tensile tests at temperature between 300 and 500°C and strain rate between 0.005 and 1.0/s were conducted to examine the deformation behavior. Then, a set of damage-based unified visco-plastic constitutive equations is proposed and calibrated based on the results of stress-strain data. A genetic algorithm optimization method is applied to search for best fitting material constants in constitutive equations. The proposed model shows good predictability of both the stress-strain relation and fracture strain at low strain rate and high temperature conditions. The accuracy of proposed model is also evaluated statistically. A comparison of the proposed model with three popular models (Arrhenius-type mode, Johnson-Cook model and Zerilli-Armstrong model) was made. The proposed model shows the best experimental agreement with correlation coefficient of 0.96 in contrast to 0.25, 0.38 and 0.75 for the popular models, respectively. The proposed model can help to optimize the elevated temperature forming process and guide die design to enable optimal geometric features in the formed components.

08 HYDROGEN↗

Effects of Forming Pressure on Physicochemical Properties of YBCO Ceramics

This article details the solid-state synthesis of high-temperature superconducting YBa{sub 2}Cu{sub 3}O{sub 7−x}. Tests were carried out on samples formed at different pressures (200, 400, 600 and 800 MPa) before being annealed under pure oxygen. The X-ray diffraction method showed that, regardless of the forming pressure, the samples contain about 97 wt.% of Y-123 phase. SEM images showed a polycrystalline structure of samples of similar grain size and number of pores (intergranular spaces). The values of critical temperatures (T{sub c0}), determined from magnetoresistance measurements, are about 91.5 K for all samples, and the T{sub c0} temperatures do not depend on sample-forming pressure. Magnetoresistance measurements have shown that samples formed with higher pressures exhibit smaller changes in T{sub c0} and superconducting transition width ΔT due to the influence of the H{sub DC} magnetic field, than the samples formed with lower pressures. Values of specific resistance determined by the use of van der Pauw method at 300 K is about 2 mΩcm for all samples. The critical temperatures (T cintra) of grains and critical current densities at 77 K were determined from AC magnetic susceptibility measurements, and they are about 91.6 K and 400 A cm{sup −2}, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Geometric Form of Gating System Elements and Its Influence on the Initial Filling Phase

Flow of cast steel through twenty-four variants of gating system was examined with the use of numerical modeling conducted in MAGMA. The main goal of the research was to determine the impact of the gating system elements’ geometric form on the kinetics in the initial filling phase, which is crucial in terms of castings quality. The evaluation was based on flow kinetics, maximal height, and the velocity of metal entering the mold. The variables included the geometric form of the sprue and the cross runner, as well as geometric form, length, and expansion of the ingate. Results allow to form valuable conclusions that can lead to improvement in the castings manufacturing technology. Results show that application of proper expansion of the ingate and suitable geometric form of the gating system can significantly reduce the velocity of metal entering the mold cavity, as well as eradicate the jetting, which positively impacts the soundness of the casting.

36 MATERIALS SCIENCE↗

Influence of Single-Point Incremental Force Process Parameters on Forming Characteristics and Microstructure Evolution of AA-6061 Alloy Sheet

Single-point incremental forming (SPIF) process comprises a set of process variables, such as forming tool diameter, vertical pitch, spindle rotation speed, and tool velocity, which may affect the forming behavior of the sheet to be deformed. The objective of this work is to study the effect of SPIF process parameters on forming characteristics and microstructure development for the AA-6061 (T6) aluminum alloy sheet. The SPIF experiments and finite element (FE) simulations were performed at different process parameters to achieve conical shapes from the AA-6061 blanks. The effect of process parameters on forming forces, thickness uniformity in wall region of the cone and surface roughness of the blank was analyzed. A detailed microstructure study was performed to analyze the effect of process variables on microstructure and texture evolution during the SPIF process. This study reveals that the process parameters are likely to influence the texture development especially at high tool diameter and vertical pitch values. Therefore, suitability and consequences of using different combinations of tool diameter and vertical pitch values are discussed for AA-6061 alloy.

36 MATERIALS SCIENCE↗

Human orexin/hypocretin receptors form constitutive homo- and heteromeric complexes with each other and with human CB{sub 1} cannabinoid receptors

Highlights: • OX{sub 1} and OX{sub 2} orexin and CB{sub 1} cannabinoid receptor dimerization was investigated. • Bioluminescence resonance energy transfer method was used. • All receptors readily formed constitutive homo- and heteromeric complexes. - Abstract: Human OX{sub 1} orexin receptors have been shown to homodimerize and they have also been suggested to heterodimerize with CB{sub 1} cannabinoid receptors. The latter has been suggested to be important for orexin receptor responses and trafficking. In this study, we wanted to assess the ability of the other combinations of receptors to also form similar complexes. Vectors for expression of human OX{sub 1}, OX{sub 2} and CB{sub 1} receptors, C-terminally fused with either Renilla luciferase or GFP{sup 2} green fluorescent protein variant, were generated. The constructs were transiently expressed in Chinese hamster ovary cells, and constitutive dimerization between the receptors was assessed by bioluminescence energy transfer (BRET). Orexin receptor subtypes readily formed homo- and hetero(di)mers, as suggested by significant BRET signals. CB{sub 1} receptors formed homodimers, and they also heterodimerized with both orexin receptors. Interestingly, BRET efficiency was higher for homodimers than for almost all heterodimers. This is likely to be due to the geometry of the interaction; the putatively symmetric dimers may place the C-termini in a more suitable orientation in homomers. Fusion of luciferase to an orexin receptor and GFP{sup 2} to CB{sub 1} produced more effective BRET than the opposite fusions, also suggesting differences in geometry. Similar was seen for the OX{sub 1}–OX{sub 2} interaction. In conclusion, orexin receptors have a significant propensity to make homo- and heterodi-/oligomeric complexes. However, it is unclear whether this affects their signaling. As orexin receptors efficiently signal via endocannabinoid production to CB{sub 1} receptors, dimerization could be an effective way of forming signal complexes with optimal cannabinoid concentrations available for cannabinoid receptors.

60 APPLIED LIFE SCIENCES↗